data_16238_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16238
_Entry.PDB_ID 2KHD
_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 4 4 GLN HA H 4 4.360 4.414 -0.054 1
1 7 . 1 1 1 A 4 4 GLN C C 4 176.100 175.618 0.482 1
1 8 . 1 1 1 A 4 4 GLN CA C 4 56.000 55.730 0.270 1
1 9 . 1 1 1 A 4 4 GLN CB C 4 29.300 29.394 -0.094 1
1 11 . 1 1 1 A 5 5 THR H H 5 8.280 8.484 -0.204 1
1 12 . 1 1 1 A 5 5 THR HA H 5 4.320 4.748 -0.428 1
1 17 . 1 1 1 A 5 5 THR C C 5 174.300 174.082 0.218 1
1 18 . 1 1 1 A 5 5 THR CA C 5 62.200 60.997 1.203 1
1 19 . 1 1 1 A 5 5 THR CB C 5 69.600 70.497 -0.897 1
1 21 . 1 1 1 A 5 5 THR N N 5 115.700 112.214 3.486 1
1 22 . 1 1 1 A 6 6 CYS H H 6 8.410 8.683 -0.273 1
1 23 . 1 1 1 A 6 6 CYS HA H 6 4.540 5.080 -0.540 1
1 26 . 1 1 1 A 6 6 CYS C C 6 174.400 173.913 0.487 1
1 27 . 1 1 1 A 6 6 CYS CA C 6 58.200 58.280 -0.080 1
1 28 . 1 1 1 A 6 6 CYS CB C 6 27.800 27.751 0.049 1
1 29 . 1 1 1 A 6 6 CYS N N 6 121.900 118.819 3.081 1
1 30 . 1 1 1 A 7 7 VAL H H 7 8.290 8.398 -0.108 1
1 31 . 1 1 1 A 7 7 VAL HA H 7 4.090 4.551 -0.461 1
1 39 . 1 1 1 A 7 7 VAL C C 7 176.100 174.506 1.594 1
1 40 . 1 1 1 A 7 7 VAL CA C 7 62.400 61.444 0.956 1
1 41 . 1 1 1 A 7 7 VAL CB C 7 32.500 32.730 -0.230 1
1 44 . 1 1 1 A 7 7 VAL N N 7 122.700 119.901 2.799 1
1 45 . 1 1 1 A 8 8 GLU H H 8 8.510 8.633 -0.123 1
1 46 . 1 1 1 A 8 8 GLU HA H 8 4.240 4.495 -0.255 1
1 51 . 1 1 1 A 8 8 GLU C C 8 176.100 176.253 -0.153 1
1 52 . 1 1 1 A 8 8 GLU CA C 8 56.900 55.968 0.932 1
1 53 . 1 1 1 A 8 8 GLU CB C 8 30.100 29.557 0.543 1
1 55 . 1 1 1 A 8 8 GLU N N 8 124.300 125.952 -1.652 1
1 56 . 1 1 1 A 9 9 ASN H H 9 8.390 8.924 -0.534 1
1 57 . 1 1 1 A 9 9 ASN HA H 9 4.650 4.792 -0.142 1
1 62 . 1 1 1 A 9 9 ASN C C 9 174.900 175.300 -0.400 1
1 63 . 1 1 1 A 9 9 ASN CA C 9 53.400 55.235 -1.835 1
1 64 . 1 1 1 A 9 9 ASN CB C 9 39.000 39.538 -0.538 1
1 66 . 1 1 1 A 9 9 ASN N N 9 119.300 126.899 -7.599 1
1 68 . 1 1 1 A 10 10 GLU H H 10 8.330 7.948 0.382 1
1 69 . 1 1 1 A 10 10 GLU HA H 10 4.250 4.011 0.239 1
1 74 . 1 1 1 A 10 10 GLU C C 10 176.400 175.896 0.504 1
1 75 . 1 1 1 A 10 10 GLU CA C 10 56.800 58.536 -1.736 1
1 76 . 1 1 1 A 10 10 GLU CB C 10 30.200 28.245 1.955 1
1 78 . 1 1 1 A 10 10 GLU N N 10 121.400 118.957 2.443 1
1 79 . 1 1 1 A 11 11 VAL H H 11 8.250 8.157 0.093 1
1 80 . 1 1 1 A 11 11 VAL HA H 11 4.090 4.369 -0.279 1
1 88 . 1 1 1 A 11 11 VAL C C 11 176.100 175.542 0.558 1
1 89 . 1 1 1 A 11 11 VAL CA C 11 62.400 61.416 0.984 1
1 90 . 1 1 1 A 11 11 VAL CB C 11 32.500 33.030 -0.530 1
1 93 . 1 1 1 A 11 11 VAL N N 11 121.900 122.588 -0.688 1
1 94 . 1 1 1 A 12 12 CYS H H 12 8.450 8.509 -0.059 1
1 95 . 1 1 1 A 12 12 CYS HA H 12 4.500 4.970 -0.470 1
1 98 . 1 1 1 A 12 12 CYS C C 12 174.400 174.565 -0.165 1
1 99 . 1 1 1 A 12 12 CYS CA C 12 58.300 57.471 0.829 1
1 100 . 1 1 1 A 12 12 CYS CB C 12 28.000 31.194 -3.194 1
1 101 . 1 1 1 A 12 12 CYS N N 12 123.800 121.232 2.568 1
1 102 . 1 1 1 A 13 13 GLU H H 13 8.560 9.356 -0.796 1
1 103 . 1 1 1 A 13 13 GLU HA H 13 4.260 4.072 0.188 1
1 108 . 1 1 1 A 13 13 GLU C C 13 176.100 176.074 0.026 1
1 109 . 1 1 1 A 13 13 GLU CA C 13 56.700 58.495 -1.795 1
1 110 . 1 1 1 A 13 13 GLU CB C 13 30.200 28.284 1.916 1
1 112 . 1 1 1 A 13 13 GLU N N 13 124.100 120.253 3.847 1
1 113 . 1 1 1 A 14 14 ALA H H 14 8.400 8.779 -0.379 1
1 114 . 1 1 1 A 14 14 ALA HA H 14 4.350 4.082 0.268 1
1 118 . 1 1 1 A 14 14 ALA C C 14 177.700 176.671 1.029 1
1 119 . 1 1 1 A 14 14 ALA CA C 14 52.600 53.354 -0.754 1
1 120 . 1 1 1 A 14 14 ALA CB C 14 19.100 18.387 0.713 1
1 121 . 1 1 1 A 14 14 ALA N N 14 125.400 121.107 4.293 1
1 122 . 1 1 1 A 15 15 CYS H H 15 8.370 8.677 -0.307 1
1 123 . 1 1 1 A 15 15 CYS HA H 15 4.490 4.104 0.386 1
1 126 . 1 1 1 A 15 15 CYS C C 15 175.100 175.216 -0.116 1
1 127 . 1 1 1 A 15 15 CYS CA C 15 58.400 60.906 -2.506 1
1 128 . 1 1 1 A 15 15 CYS CB C 15 28.000 26.502 1.498 1
1 129 . 1 1 1 A 15 15 CYS N N 15 118.500 117.574 0.926 1
1 130 . 1 1 1 A 16 16 GLY H H 16 8.480 8.008 0.472 1
1 131 . 1 1 1 A 16 16 GLY HA2 H 16 3.970 3.946 0.024 1
1 132 . 1 1 1 A 16 16 GLY HA3 H 16 3.970 3.946 0.024 1
1 133 . 1 1 1 A 16 16 GLY C C 16 174.100 173.573 0.527 1
1 134 . 1 1 1 A 16 16 GLY CA C 16 45.400 45.577 -0.177 1
1 135 . 1 1 1 A 16 16 GLY N N 16 111.300 107.614 3.686 1
1 136 . 1 1 1 A 17 17 CYS H H 17 8.300 7.949 0.351 1
1 137 . 1 1 1 A 17 17 CYS HA H 17 4.500 4.277 0.223 1
1 140 . 1 1 1 A 17 17 CYS C C 17 174.500 173.816 0.684 1
1 141 . 1 1 1 A 17 17 CYS CA C 17 58.300 60.416 -2.116 1
1 142 . 1 1 1 A 17 17 CYS CB C 17 28.100 26.223 1.877 1
1 143 . 1 1 1 A 17 17 CYS N N 17 118.900 116.237 2.663 1
1 144 . 1 1 1 A 18 18 ALA H H 18 8.520 7.765 0.755 1
1 145 . 1 1 1 A 18 18 ALA HA H 18 4.260 4.163 0.097 1
1 149 . 1 1 1 A 18 18 ALA C C 18 178.000 177.874 0.126 1
1 150 . 1 1 1 A 18 18 ALA CA C 18 52.900 53.482 -0.582 1
1 151 . 1 1 1 A 18 18 ALA CB C 18 19.000 18.335 0.665 1
1 152 . 1 1 1 A 18 18 ALA N N 18 126.800 122.166 4.634 1
1 153 . 1 1 1 A 19 19 GLY H H 19 8.310 8.835 -0.525 1
1 154 . 1 1 1 A 19 19 GLY HA2 H 19 3.890 4.026 -0.136 1
1 155 . 1 1 1 A 19 19 GLY HA3 H 19 3.890 4.031 -0.141 1
1 156 . 1 1 1 A 19 19 GLY C C 19 174.000 174.111 -0.111 1
1 157 . 1 1 1 A 19 19 GLY CA C 19 45.000 44.783 0.217 1
1 158 . 1 1 1 A 19 19 GLY N N 19 108.100 113.834 -5.734 1
1 159 . 1 1 1 A 20 20 GLU H H 20 8.180 8.680 -0.500 1
1 160 . 1 1 1 A 20 20 GLU HA H 20 4.270 4.539 -0.269 1
1 165 . 1 1 1 A 20 20 GLU C C 20 176.400 175.567 0.833 1
1 166 . 1 1 1 A 20 20 GLU CA C 20 56.200 57.504 -1.304 1
1 167 . 1 1 1 A 20 20 GLU CB C 20 30.100 33.155 -3.055 1
1 169 . 1 1 1 A 20 20 GLU N N 20 120.500 120.240 0.260 1
1 170 . 1 1 1 A 21 21 ILE H H 21 8.160 7.482 0.678 1
1 171 . 1 1 1 A 21 21 ILE HA H 21 4.020 4.375 -0.355 1
1 181 . 1 1 1 A 21 21 ILE C C 21 176.400 176.189 0.211 1
1 182 . 1 1 1 A 21 21 ILE CA C 21 61.200 60.172 1.028 1
1 183 . 1 1 1 A 21 21 ILE CB C 21 38.200 39.080 -0.880 1
1 187 . 1 1 1 A 21 21 ILE N N 21 122.000 116.680 5.320 1
1 188 . 1 1 1 A 22 22 GLY H H 22 8.260 8.713 -0.453 1
1 189 . 1 1 1 A 22 22 GLY HA2 H 22 3.740 4.127 -0.387 1
1 190 . 1 1 1 A 22 22 GLY HA3 H 22 3.880 4.145 -0.265 1
1 191 . 1 1 1 A 22 22 GLY C C 22 173.200 174.422 -1.222 1
1 192 . 1 1 1 A 22 22 GLY CA C 22 45.100 45.634 -0.534 1
1 193 . 1 1 1 A 22 22 GLY N N 22 112.500 110.415 2.085 1
1 194 . 1 1 1 A 23 23 PHE H H 23 7.890 8.795 -0.905 1
1 195 . 1 1 1 A 23 23 PHE HA H 23 4.550 4.742 -0.192 1
1 202 . 1 1 1 A 23 23 PHE CA C 23 58.100 58.774 -0.674 1
1 203 . 1 1 1 A 23 23 PHE CB C 23 41.200 42.058 -0.858 1
1 206 . 1 1 1 A 23 23 PHE N N 23 119.700 123.902 -4.202 1
1 207 . 1 1 1 A 24 24 ILE HA H 24 3.970 4.195 -0.225 1
1 217 . 1 1 1 A 24 24 ILE CA C 24 62.400 60.231 2.169 1
1 218 . 1 1 1 A 24 24 ILE CB C 24 37.700 39.422 -1.722 1
1 222 . 1 1 1 A 25 25 ILE H H 25 8.950 8.537 0.413 1
1 223 . 1 1 1 A 25 25 ILE HA H 25 3.740 3.907 -0.167 1
1 233 . 1 1 1 A 25 25 ILE C C 25 175.200 175.745 -0.545 1
1 234 . 1 1 1 A 25 25 ILE CA C 25 62.700 61.929 0.771 1
1 235 . 1 1 1 A 25 25 ILE CB C 25 38.200 38.065 0.135 1
1 239 . 1 1 1 A 25 25 ILE N N 25 124.800 123.135 1.665 1
1 240 . 1 1 1 A 26 26 ARG H H 26 8.040 8.045 -0.005 1
1 241 . 1 1 1 A 26 26 ARG HA H 26 4.140 4.203 -0.063 1
1 248 . 1 1 1 A 26 26 ARG C C 26 175.900 175.703 0.197 1
1 249 . 1 1 1 A 26 26 ARG CA C 26 55.300 56.635 -1.335 1
1 250 . 1 1 1 A 26 26 ARG CB C 26 31.100 30.014 1.086 1
1 253 . 1 1 1 A 26 26 ARG N N 26 128.100 126.550 1.550 1
1 254 . 1 1 1 A 27 27 GLU H H 27 8.560 8.456 0.104 1
1 255 . 1 1 1 A 27 27 GLU HA H 27 4.030 4.309 -0.279 1
1 260 . 1 1 1 A 27 27 GLU C C 27 176.300 176.363 -0.063 1
1 261 . 1 1 1 A 27 27 GLU CA C 27 57.000 56.192 0.808 1
1 262 . 1 1 1 A 27 27 GLU CB C 27 30.000 30.040 -0.040 1
1 264 . 1 1 1 A 27 27 GLU N N 27 123.500 124.154 -0.654 1
1 265 . 1 1 1 A 28 28 GLY H H 28 8.420 8.266 0.154 1
1 266 . 1 1 1 A 28 28 GLY HA2 H 28 4.050 4.220 -0.170 1
1 267 . 1 1 1 A 28 28 GLY HA3 H 28 4.220 4.225 -0.005 1
1 268 . 1 1 1 A 28 28 GLY C C 28 174.000 173.990 0.010 1
1 269 . 1 1 1 A 28 28 GLY CA C 28 45.400 45.636 -0.236 1
1 270 . 1 1 1 A 28 28 GLY N N 28 108.300 108.728 -0.428 1
1 271 . 1 1 1 A 29 29 ASP H H 29 8.690 8.933 -0.243 1
1 272 . 1 1 1 A 29 29 ASP HA H 29 4.430 4.499 -0.069 1
1 275 . 1 1 1 A 29 29 ASP C C 29 175.200 176.432 -1.232 1
1 276 . 1 1 1 A 29 29 ASP CA C 29 56.300 56.273 0.027 1
1 277 . 1 1 1 A 29 29 ASP CB C 29 40.300 40.095 0.205 1
1 278 . 1 1 1 A 29 29 ASP N N 29 119.800 119.400 0.400 1
1 279 . 1 1 1 A 30 30 ASP H H 30 8.630 7.963 0.667 1
1 280 . 1 1 1 A 30 30 ASP HA H 30 4.260 4.789 -0.529 1
1 283 . 1 1 1 A 30 30 ASP C C 30 174.300 174.337 -0.037 1
1 284 . 1 1 1 A 30 30 ASP CA C 30 52.600 54.583 -1.983 1
1 285 . 1 1 1 A 30 30 ASP CB C 30 39.200 41.530 -2.330 1
1 286 . 1 1 1 A 30 30 ASP N N 30 114.900 118.004 -3.104 1
1 287 . 1 1 1 A 31 31 VAL H H 31 7.550 7.472 0.078 1
1 288 . 1 1 1 A 31 31 VAL HA H 31 5.300 4.808 0.492 1
1 296 . 1 1 1 A 31 31 VAL C C 31 175.800 174.572 1.228 1
1 297 . 1 1 1 A 31 31 VAL CA C 31 60.700 60.432 0.268 1
1 298 . 1 1 1 A 31 31 VAL CB C 31 35.000 35.151 -0.151 1
1 301 . 1 1 1 A 31 31 VAL N N 31 120.500 120.194 0.306 1
1 302 . 1 1 1 A 32 32 ALA H H 32 9.580 9.293 0.287 1
1 303 . 1 1 1 A 32 32 ALA HA H 32 5.030 5.350 -0.320 1
1 307 . 1 1 1 A 32 32 ALA C C 32 175.800 175.863 -0.063 1
1 308 . 1 1 1 A 32 32 ALA CA C 32 50.000 50.248 -0.248 1
1 309 . 1 1 1 A 32 32 ALA CB C 32 22.800 23.539 -0.739 1
1 310 . 1 1 1 A 32 32 ALA N N 32 130.500 128.972 1.528 1
1 311 . 1 1 1 A 33 33 GLU H H 33 9.270 8.987 0.283 1
1 312 . 1 1 1 A 33 33 GLU HA H 33 5.140 5.184 -0.044 1
1 317 . 1 1 1 A 33 33 GLU C C 33 175.900 175.638 0.262 1
1 318 . 1 1 1 A 33 33 GLU CA C 33 55.300 55.404 -0.104 1
1 319 . 1 1 1 A 33 33 GLU CB C 33 31.500 32.530 -1.030 1
1 321 . 1 1 1 A 33 33 GLU N N 33 124.500 120.952 3.548 1
1 322 . 1 1 1 A 34 34 VAL H H 34 9.140 9.102 0.038 1
1 323 . 1 1 1 A 34 34 VAL HA H 34 4.580 5.061 -0.481 1
1 331 . 1 1 1 A 34 34 VAL C C 34 174.300 174.713 -0.413 1
1 332 . 1 1 1 A 34 34 VAL CA C 34 60.800 60.896 -0.096 1
1 333 . 1 1 1 A 34 34 VAL CB C 34 35.700 35.047 0.653 1
1 336 . 1 1 1 A 34 34 VAL N N 34 124.700 123.607 1.093 1
1 337 . 1 1 1 A 35 35 SER H H 35 8.450 9.230 -0.780 1
1 338 . 1 1 1 A 35 35 SER HA H 35 5.060 5.165 -0.105 1
1 341 . 1 1 1 A 35 35 SER C C 35 172.100 172.646 -0.546 1
1 342 . 1 1 1 A 35 35 SER CA C 35 56.900 56.719 0.181 1
1 343 . 1 1 1 A 35 35 SER CB C 35 64.800 64.733 0.067 1
1 344 . 1 1 1 A 35 35 SER N N 35 122.100 123.456 -1.356 1
1 345 . 1 1 1 A 36 36 LEU H H 36 8.540 8.886 -0.346 1
1 346 . 1 1 1 A 36 36 LEU HA H 36 4.570 5.274 -0.704 1
1 356 . 1 1 1 A 36 36 LEU C C 36 174.200 175.044 -0.844 1
1 357 . 1 1 1 A 36 36 LEU CA C 36 52.600 52.723 -0.123 1
1 358 . 1 1 1 A 36 36 LEU CB C 36 45.600 46.395 -0.795 1
1 362 . 1 1 1 A 36 36 LEU N N 36 123.600 130.356 -6.756 1
1 363 . 1 1 1 A 37 37 PHE H H 37 8.400 8.454 -0.054 1
1 364 . 1 1 1 A 37 37 PHE HA H 37 5.300 5.699 -0.399 1
1 369 . 1 1 1 A 37 37 PHE C C 37 175.600 173.828 1.772 1
1 370 . 1 1 1 A 37 37 PHE CA C 37 56.300 55.595 0.705 1
1 371 . 1 1 1 A 37 37 PHE CB C 37 42.000 42.645 -0.645 1
1 374 . 1 1 1 A 37 37 PHE N N 37 118.300 119.685 -1.385 1
1 375 . 1 1 1 A 38 38 GLY H H 38 8.340 8.120 0.220 1
1 376 . 1 1 1 A 38 38 GLY HA2 H 38 3.750 4.267 -0.517 1
1 377 . 1 1 1 A 38 38 GLY HA3 H 38 4.210 4.328 -0.118 1
1 378 . 1 1 1 A 38 38 GLY CA C 38 45.600 45.951 -0.351 1
1 379 . 1 1 1 A 38 38 GLY N N 38 109.300 106.494 2.806 1
1 380 . 1 1 1 A 39 39 SER HA H 39 4.210 4.244 -0.034 1
1 383 . 1 1 1 A 39 39 SER C C 39 173.700 174.097 -0.397 1
1 384 . 1 1 1 A 39 39 SER CA C 39 60.100 60.545 -0.445 1
1 385 . 1 1 1 A 39 39 SER CB C 39 63.900 63.019 0.881 1
1 386 . 1 1 1 A 40 40 ASP H H 40 7.670 7.714 -0.044 1
1 387 . 1 1 1 A 40 40 ASP HA H 40 4.810 4.792 0.018 1
1 390 . 1 1 1 A 40 40 ASP C C 40 175.500 176.351 -0.851 1
1 391 . 1 1 1 A 40 40 ASP CA C 40 52.900 53.300 -0.400 1
1 392 . 1 1 1 A 40 40 ASP CB C 40 41.300 41.529 -0.229 1
1 393 . 1 1 1 A 40 40 ASP N N 40 115.800 116.430 -0.630 1
1 394 . 1 1 1 A 41 41 LYS H H 41 8.260 8.292 -0.032 1
1 395 . 1 1 1 A 41 41 LYS HA H 41 3.780 3.918 -0.138 1
1 404 . 1 1 1 A 41 41 LYS C C 41 177.100 177.971 -0.871 1
1 405 . 1 1 1 A 41 41 LYS CA C 41 60.500 59.608 0.892 1
1 406 . 1 1 1 A 41 41 LYS CB C 41 33.400 32.266 1.134 1
1 410 . 1 1 1 A 41 41 LYS N N 41 120.200 119.520 0.680 1
1 411 . 1 1 1 A 42 42 ALA H H 42 8.420 8.080 0.340 1
1 412 . 1 1 1 A 42 42 ALA HA H 42 4.180 4.131 0.049 1
1 416 . 1 1 1 A 42 42 ALA C C 42 181.900 179.757 2.143 1
1 417 . 1 1 1 A 42 42 ALA CA C 42 55.400 55.280 0.120 1
1 418 . 1 1 1 A 42 42 ALA CB C 42 17.700 18.854 -1.154 1
1 419 . 1 1 1 A 42 42 ALA N N 42 120.700 121.754 -1.054 1
1 420 . 1 1 1 A 43 43 HIS H H 43 8.490 8.343 0.147 1
1 421 . 1 1 1 A 43 43 HIS HA H 43 4.330 4.286 0.044 1
1 424 . 1 1 1 A 43 43 HIS C C 43 178.800 177.991 0.809 1
1 425 . 1 1 1 A 43 43 HIS CA C 43 59.600 60.264 -0.664 1
1 426 . 1 1 1 A 43 43 HIS CB C 43 30.300 29.801 0.499 1
1 427 . 1 1 1 A 43 43 HIS N N 43 118.000 116.101 1.899 1
1 428 . 1 1 1 A 44 44 LEU H H 44 8.340 8.229 0.111 1
1 429 . 1 1 1 A 44 44 LEU HA H 44 3.750 3.737 0.013 1
1 439 . 1 1 1 A 44 44 LEU C C 44 178.500 179.178 -0.678 1
1 440 . 1 1 1 A 44 44 LEU CA C 44 58.200 57.927 0.273 1
1 441 . 1 1 1 A 44 44 LEU CB C 44 42.100 41.268 0.832 1
1 445 . 1 1 1 A 44 44 LEU N N 44 121.500 119.643 1.857 1
1 446 . 1 1 1 A 45 45 GLU H H 45 8.880 8.628 0.252 1
1 447 . 1 1 1 A 45 45 GLU HA H 45 3.750 4.033 -0.283 1
1 452 . 1 1 1 A 45 45 GLU C C 45 180.200 180.103 0.097 1
1 453 . 1 1 1 A 45 45 GLU CA C 45 60.000 59.485 0.515 1
1 454 . 1 1 1 A 45 45 GLU CB C 45 29.000 29.011 -0.011 1
1 456 . 1 1 1 A 45 45 GLU N N 45 118.300 118.094 0.206 1
1 457 . 1 1 1 A 46 46 GLY H H 46 7.970 8.011 -0.041 1
1 458 . 1 1 1 A 46 46 GLY HA2 H 46 3.920 3.720 0.200 1
1 459 . 1 1 1 A 46 46 GLY HA3 H 46 3.920 3.744 0.176 1
1 460 . 1 1 1 A 46 46 GLY C C 46 176.500 175.620 0.880 1
1 461 . 1 1 1 A 46 46 GLY CA C 46 46.900 47.201 -0.301 1
1 462 . 1 1 1 A 46 46 GLY N N 46 108.100 109.856 -1.756 1
1 463 . 1 1 1 A 47 47 LYS H H 47 7.690 8.000 -0.310 1
1 464 . 1 1 1 A 47 47 LYS HA H 47 4.320 4.008 0.312 1
1 473 . 1 1 1 A 47 47 LYS C C 47 179.400 179.276 0.124 1
1 474 . 1 1 1 A 47 47 LYS CA C 47 58.400 59.276 -0.876 1
1 475 . 1 1 1 A 47 47 LYS CB C 47 32.100 32.105 -0.005 1
1 479 . 1 1 1 A 47 47 LYS N N 47 122.400 122.187 0.213 1
1 480 . 1 1 1 A 48 48 LEU H H 48 8.550 8.387 0.163 1
1 481 . 1 1 1 A 48 48 LEU HA H 48 3.980 3.864 0.116 1
1 491 . 1 1 1 A 48 48 LEU C C 48 178.300 178.346 -0.046 1
1 492 . 1 1 1 A 48 48 LEU CA C 48 57.900 57.723 0.177 1
1 493 . 1 1 1 A 48 48 LEU CB C 48 40.800 41.046 -0.246 1
1 497 . 1 1 1 A 48 48 LEU N N 48 120.600 121.456 -0.856 1
1 498 . 1 1 1 A 49 49 ALA H H 49 7.810 8.197 -0.387 1
1 499 . 1 1 1 A 49 49 ALA HA H 49 4.000 3.959 0.041 1
1 503 . 1 1 1 A 49 49 ALA C C 49 180.400 180.050 0.350 1
1 504 . 1 1 1 A 49 49 ALA CA C 49 55.600 55.231 0.369 1
1 505 . 1 1 1 A 49 49 ALA CB C 49 17.900 18.117 -0.217 1
1 506 . 1 1 1 A 49 49 ALA N N 49 120.000 119.734 0.266 1
1 507 . 1 1 1 A 50 50 GLU H H 50 7.520 8.015 -0.495 1
1 508 . 1 1 1 A 50 50 GLU HA H 50 4.130 4.099 0.031 1
1 513 . 1 1 1 A 50 50 GLU C C 50 179.600 179.313 0.287 1
1 514 . 1 1 1 A 50 50 GLU CA C 50 59.200 58.845 0.355 1
1 515 . 1 1 1 A 50 50 GLU CB C 50 29.800 29.555 0.245 1
1 517 . 1 1 1 A 50 50 GLU N N 50 117.300 119.228 -1.928 1
1 518 . 1 1 1 A 51 51 TYR H H 51 7.860 8.190 -0.330 1
1 519 . 1 1 1 A 51 51 TYR HA H 51 3.900 4.344 -0.444 1
1 526 . 1 1 1 A 51 51 TYR C C 51 177.900 178.484 -0.584 1
1 527 . 1 1 1 A 51 51 TYR CA C 51 62.400 61.088 1.312 1
1 528 . 1 1 1 A 51 51 TYR CB C 51 38.200 37.964 0.236 1
1 533 . 1 1 1 A 51 51 TYR N N 51 120.300 119.372 0.928 1
1 534 . 1 1 1 A 52 52 ILE H H 52 8.590 8.262 0.328 1
1 535 . 1 1 1 A 52 52 ILE HA H 52 3.420 3.608 -0.188 1
1 545 . 1 1 1 A 52 52 ILE C C 52 177.400 177.979 -0.579 1
1 546 . 1 1 1 A 52 52 ILE CA C 52 66.200 65.290 0.910 1
1 547 . 1 1 1 A 52 52 ILE CB C 52 38.200 38.033 0.167 1
1 551 . 1 1 1 A 52 52 ILE N N 52 120.100 120.791 -0.691 1
1 552 . 1 1 1 A 53 53 SER H H 53 7.860 7.690 0.170 1
1 553 . 1 1 1 A 53 53 SER HA H 53 4.080 4.056 0.024 1
1 556 . 1 1 1 A 53 53 SER C C 53 177.700 176.307 1.393 1
1 557 . 1 1 1 A 53 53 SER CA C 53 61.800 62.384 -0.584 1
1 558 . 1 1 1 A 53 53 SER CB C 53 62.600 63.034 -0.434 1
1 559 . 1 1 1 A 53 53 SER N N 53 113.100 116.198 -3.098 1
1 560 . 1 1 1 A 54 54 LEU H H 54 7.610 7.884 -0.274 1
1 561 . 1 1 1 A 54 54 LEU HA H 54 4.090 4.096 -0.006 1
1 571 . 1 1 1 A 54 54 LEU C C 54 178.600 179.169 -0.569 1
1 572 . 1 1 1 A 54 54 LEU CA C 54 58.000 57.700 0.300 1
1 573 . 1 1 1 A 54 54 LEU CB C 54 42.200 41.224 0.976 1
1 577 . 1 1 1 A 54 54 LEU N N 54 121.200 121.290 -0.090 1
1 578 . 1 1 1 A 55 55 ALA H H 55 8.640 8.444 0.196 1
1 579 . 1 1 1 A 55 55 ALA HA H 55 3.860 4.092 -0.232 1
1 583 . 1 1 1 A 55 55 ALA C C 55 179.100 179.857 -0.757 1
1 584 . 1 1 1 A 55 55 ALA CA C 55 56.200 55.773 0.427 1
1 585 . 1 1 1 A 55 55 ALA CB C 55 19.000 18.685 0.315 1
1 586 . 1 1 1 A 55 55 ALA N N 55 121.900 122.151 -0.251 1
1 587 . 1 1 1 A 56 56 LYS H H 56 8.120 8.292 -0.172 1
1 588 . 1 1 1 A 56 56 LYS HA H 56 4.220 4.356 -0.136 1
1 597 . 1 1 1 A 56 56 LYS C C 56 178.800 179.042 -0.242 1
1 598 . 1 1 1 A 56 56 LYS CA C 56 58.300 59.648 -1.348 1
1 599 . 1 1 1 A 56 56 LYS CB C 56 32.900 32.338 0.562 1
1 603 . 1 1 1 A 56 56 LYS N N 56 115.600 117.501 -1.901 1
1 604 . 1 1 1 A 57 57 GLN H H 57 7.590 7.857 -0.267 1
1 605 . 1 1 1 A 57 57 GLN HA H 57 4.010 4.106 -0.096 1
1 612 . 1 1 1 A 57 57 GLN C C 57 178.300 178.891 -0.591 1
1 613 . 1 1 1 A 57 57 GLN CA C 57 58.400 58.787 -0.387 1
1 614 . 1 1 1 A 57 57 GLN CB C 57 28.600 28.548 0.052 1
1 617 . 1 1 1 A 57 57 GLN N N 57 117.900 119.613 -1.713 1
1 619 . 1 1 1 A 58 58 VAL H H 58 7.650 8.032 -0.382 1
1 620 . 1 1 1 A 58 58 VAL HA H 58 3.750 3.829 -0.079 1
1 628 . 1 1 1 A 58 58 VAL C C 58 176.400 176.085 0.315 1
1 629 . 1 1 1 A 58 58 VAL CA C 58 65.500 65.861 -0.361 1
1 630 . 1 1 1 A 58 58 VAL CB C 58 32.000 32.142 -0.142 1
1 633 . 1 1 1 A 58 58 VAL N N 58 120.200 120.084 0.116 1
1 634 . 1 1 1 A 59 59 TYR H H 59 8.700 8.144 0.556 1
1 635 . 1 1 1 A 59 59 TYR HA H 59 5.040 4.897 0.143 1
1 642 . 1 1 1 A 59 59 TYR C C 59 174.100 174.000 0.100 1
1 643 . 1 1 1 A 59 59 TYR CA C 59 55.500 57.172 -1.672 1
1 644 . 1 1 1 A 59 59 TYR CB C 59 40.500 41.824 -1.324 1
1 649 . 1 1 1 A 59 59 TYR N N 59 120.400 120.174 0.226 1
1 650 . 1 1 1 A 60 60 ALA H H 60 8.900 8.119 0.781 1
1 651 . 1 1 1 A 60 60 ALA HA H 60 4.230 4.114 0.116 1
1 655 . 1 1 1 A 60 60 ALA CA C 60 55.400 52.521 2.879 1
1 656 . 1 1 1 A 60 60 ALA CB C 60 18.100 19.090 -0.990 1
1 657 . 1 1 1 A 60 60 ALA N N 60 131.000 129.074 1.926 1
1 658 . 1 1 1 A 61 61 ASN H H 61 5.430 8.982 -3.552 1
1 659 . 1 1 1 A 61 61 ASN HA H 61 4.760 4.272 0.488 1
1 664 . 1 1 1 A 61 61 ASN C C 61 173.200 174.294 -1.094 1
1 665 . 1 1 1 A 61 61 ASN CA C 61 51.800 54.152 -2.352 1
1 666 . 1 1 1 A 61 61 ASN CB C 61 37.600 36.974 0.626 1
1 668 . 1 1 1 A 61 61 ASN N N 61 111.100 115.956 -4.856 1
1 670 . 1 1 1 A 62 62 VAL H H 62 6.870 7.954 -1.084 1
1 671 . 1 1 1 A 62 62 VAL HA H 62 3.730 4.218 -0.488 1
1 679 . 1 1 1 A 62 62 VAL C C 62 172.400 175.460 -3.060 1
1 680 . 1 1 1 A 62 62 VAL CA C 62 62.500 62.609 -0.109 1
1 681 . 1 1 1 A 62 62 VAL CB C 62 31.300 33.216 -1.916 1
1 684 . 1 1 1 A 62 62 VAL N N 62 120.400 118.416 1.984 1
1 685 . 1 1 1 A 63 63 GLU H H 63 7.360 8.414 -1.054 1
1 686 . 1 1 1 A 63 63 GLU HA H 63 4.590 4.927 -0.337 1
1 691 . 1 1 1 A 63 63 GLU C C 63 174.500 175.298 -0.798 1
1 692 . 1 1 1 A 63 63 GLU CA C 63 54.000 54.923 -0.923 1
1 693 . 1 1 1 A 63 63 GLU CB C 63 32.700 32.772 -0.072 1
1 695 . 1 1 1 A 63 63 GLU N N 63 126.500 127.104 -0.604 1
1 696 . 1 1 1 A 64 64 TYR H H 64 8.300 8.486 -0.186 1
1 697 . 1 1 1 A 64 64 TYR HA H 64 5.400 5.123 0.277 1
1 704 . 1 1 1 A 64 64 TYR C C 64 173.400 172.033 1.367 1
1 705 . 1 1 1 A 64 64 TYR CA C 64 54.800 55.629 -0.829 1
1 706 . 1 1 1 A 64 64 TYR CB C 64 41.800 41.211 0.589 1
1 711 . 1 1 1 A 64 64 TYR N N 64 118.800 118.698 0.102 1
1 712 . 1 1 1 A 65 65 GLU H H 65 8.470 8.146 0.324 1
1 713 . 1 1 1 A 65 65 GLU HA H 65 4.440 4.741 -0.301 1
1 718 . 1 1 1 A 65 65 GLU C C 65 173.800 174.541 -0.741 1
1 719 . 1 1 1 A 65 65 GLU CA C 65 54.600 55.103 -0.503 1
1 720 . 1 1 1 A 65 65 GLU CB C 65 35.000 33.722 1.278 1
1 722 . 1 1 1 A 65 65 GLU N N 65 121.300 120.054 1.246 1
1 723 . 1 1 1 A 66 66 VAL H H 66 8.780 8.807 -0.027 1
1 724 . 1 1 1 A 66 66 VAL HA H 66 4.600 4.978 -0.378 1
1 732 . 1 1 1 A 66 66 VAL C C 66 175.900 175.168 0.732 1
1 733 . 1 1 1 A 66 66 VAL CA C 66 60.800 60.103 0.697 1
1 734 . 1 1 1 A 66 66 VAL CB C 66 33.800 34.800 -1.000 1
1 737 . 1 1 1 A 66 66 VAL N N 66 126.000 119.973 6.027 1
1 738 . 1 1 1 A 67 67 ALA H H 67 8.400 8.603 -0.203 1
1 739 . 1 1 1 A 67 67 ALA HA H 67 4.390 4.746 -0.356 1
1 743 . 1 1 1 A 67 67 ALA CA C 67 51.100 51.054 0.046 1
1 744 . 1 1 1 A 67 67 ALA CB C 67 16.800 18.595 -1.795 1
1 745 . 1 1 1 A 67 67 ALA N N 67 132.400 126.950 5.450 1
1 746 . 1 1 1 A 68 68 PRO HA H 68 4.260 4.555 -0.295 1
1 753 . 1 1 1 A 68 68 PRO C C 68 176.400 176.101 0.299 1
1 754 . 1 1 1 A 68 68 PRO CA C 68 63.800 63.170 0.630 1
1 755 . 1 1 1 A 68 68 PRO CB C 68 31.800 32.285 -0.485 1
1 758 . 1 1 1 A 69 69 VAL H H 69 8.240 8.502 -0.262 1
1 759 . 1 1 1 A 69 69 VAL HA H 69 4.360 4.692 -0.332 1
1 767 . 1 1 1 A 69 69 VAL C C 69 175.500 175.292 0.208 1
1 768 . 1 1 1 A 69 69 VAL CA C 69 60.500 60.667 -0.167 1
1 769 . 1 1 1 A 69 69 VAL CB C 69 34.200 35.604 -1.404 1
1 772 . 1 1 1 A 69 69 VAL N N 69 121.600 123.065 -1.465 1
1 773 . 1 1 1 A 70 70 ALA H H 70 8.630 8.678 -0.048 1
1 774 . 1 1 1 A 70 70 ALA HA H 70 4.370 4.570 -0.200 1
1 778 . 1 1 1 A 70 70 ALA C C 70 178.100 178.000 0.100 1
1 779 . 1 1 1 A 70 70 ALA CA C 70 51.700 51.694 0.006 1
1 780 . 1 1 1 A 70 70 ALA CB C 70 19.700 20.300 -0.600 1
1 781 . 1 1 1 A 70 70 ALA N N 70 128.800 129.148 -0.348 1
1 782 . 1 1 1 A 71 71 ASP H H 71 8.640 9.058 -0.418 1
1 783 . 1 1 1 A 71 71 ASP HA H 71 4.330 4.338 -0.008 1
1 786 . 1 1 1 A 71 71 ASP C C 71 177.000 177.581 -0.581 1
1 787 . 1 1 1 A 71 71 ASP CA C 71 57.300 57.431 -0.131 1
1 788 . 1 1 1 A 71 71 ASP CB C 71 40.300 40.675 -0.375 1
1 789 . 1 1 1 A 71 71 ASP N N 71 118.900 121.769 -2.869 1
1 790 . 1 1 1 A 72 72 ASN H H 72 8.100 7.886 0.214 1
1 791 . 1 1 1 A 72 72 ASN HA H 72 4.810 5.059 -0.249 1
1 796 . 1 1 1 A 72 72 ASN C C 72 175.300 175.439 -0.139 1
1 797 . 1 1 1 A 72 72 ASN CA C 72 51.900 53.009 -1.109 1
1 798 . 1 1 1 A 72 72 ASN CB C 72 37.400 39.165 -1.765 1
1 800 . 1 1 1 A 72 72 ASN N N 72 114.800 115.540 -0.740 1
1 802 . 1 1 1 A 73 73 ALA H H 73 7.580 7.349 0.231 1
1 803 . 1 1 1 A 73 73 ALA HA H 73 4.230 4.104 0.126 1
1 807 . 1 1 1 A 73 73 ALA C C 73 176.300 177.846 -1.546 1
1 808 . 1 1 1 A 73 73 ALA CA C 73 53.200 54.470 -1.270 1
1 809 . 1 1 1 A 73 73 ALA CB C 73 21.000 19.506 1.494 1
1 810 . 1 1 1 A 73 73 ALA N N 73 123.400 123.178 0.222 1
1 811 . 1 1 1 A 74 74 THR H H 74 8.220 7.880 0.340 1
1 812 . 1 1 1 A 74 74 THR HA H 74 4.560 3.963 0.597 1
1 817 . 1 1 1 A 74 74 THR C C 74 174.100 172.780 1.320 1
1 818 . 1 1 1 A 74 74 THR CA C 74 60.200 64.541 -4.341 1
1 819 . 1 1 1 A 74 74 THR CB C 74 69.900 66.992 2.908 1
1 821 . 1 1 1 A 74 74 THR N N 74 104.600 108.719 -4.119 1
1 822 . 1 1 1 A 75 75 GLU H H 75 7.310 7.592 -0.282 1
1 823 . 1 1 1 A 75 75 GLU HA H 75 5.190 5.201 -0.011 1
1 828 . 1 1 1 A 75 75 GLU C C 75 173.600 174.177 -0.577 1
1 829 . 1 1 1 A 75 75 GLU CA C 75 54.100 54.741 -0.641 1
1 830 . 1 1 1 A 75 75 GLU CB C 75 34.100 32.651 1.449 1
1 832 . 1 1 1 A 75 75 GLU N N 75 119.100 117.576 1.524 1
1 833 . 1 1 1 A 76 76 LEU H H 76 8.400 9.345 -0.945 1
1 834 . 1 1 1 A 76 76 LEU HA H 76 4.650 5.205 -0.555 1
1 844 . 1 1 1 A 76 76 LEU C C 76 174.100 174.082 0.018 1
1 845 . 1 1 1 A 76 76 LEU CA C 76 54.200 53.255 0.945 1
1 846 . 1 1 1 A 76 76 LEU CB C 76 47.400 45.753 1.647 1
1 850 . 1 1 1 A 76 76 LEU N N 76 122.600 124.246 -1.646 1
1 851 . 1 1 1 A 77 77 HIS H H 77 9.340 8.941 0.399 1
1 852 . 1 1 1 A 77 77 HIS HA H 77 5.440 5.299 0.141 1
1 855 . 1 1 1 A 77 77 HIS C C 77 172.700 174.661 -1.961 1
1 856 . 1 1 1 A 77 77 HIS CA C 77 54.400 54.489 -0.089 1
1 857 . 1 1 1 A 77 77 HIS CB C 77 31.700 31.155 0.545 1
1 858 . 1 1 1 A 77 77 HIS N N 77 123.500 125.306 -1.806 1
1 859 . 1 1 1 A 78 78 ALA H H 78 9.190 8.950 0.240 1
1 860 . 1 1 1 A 78 78 ALA HA H 78 5.620 5.204 0.416 1
1 864 . 1 1 1 A 78 78 ALA C C 78 175.600 175.446 0.154 1
1 865 . 1 1 1 A 78 78 ALA CA C 78 50.300 50.756 -0.456 1
1 866 . 1 1 1 A 78 78 ALA CB C 78 24.100 23.970 0.130 1
1 867 . 1 1 1 A 78 78 ALA N N 78 124.800 125.738 -0.938 1
1 868 . 1 1 1 A 79 79 ARG H H 79 8.680 8.441 0.239 1
1 869 . 1 1 1 A 79 79 ARG HA H 79 5.230 5.472 -0.242 1
1 874 . 1 1 1 A 79 79 ARG C C 79 173.900 174.719 -0.819 1
1 875 . 1 1 1 A 79 79 ARG CA C 79 55.300 54.428 0.872 1
1 876 . 1 1 1 A 79 79 ARG CB C 79 34.400 34.373 0.027 1
1 879 . 1 1 1 A 79 79 ARG N N 79 119.100 119.429 -0.329 1
1 880 . 1 1 1 A 80 80 PHE H H 80 8.970 9.116 -0.146 1
1 881 . 1 1 1 A 80 80 PHE HA H 80 4.720 4.936 -0.216 1
1 889 . 1 1 1 A 80 80 PHE C C 80 172.700 173.783 -1.083 1
1 890 . 1 1 1 A 80 80 PHE CA C 80 56.300 56.089 0.211 1
1 891 . 1 1 1 A 80 80 PHE CB C 80 42.600 42.686 -0.086 1
1 897 . 1 1 1 A 80 80 PHE N N 80 119.200 121.313 -2.113 1
1 898 . 1 1 1 A 81 81 LYS H H 81 9.350 8.378 0.972 1
1 899 . 1 1 1 A 81 81 LYS HA H 81 4.800 5.077 -0.277 1
1 908 . 1 1 1 A 81 81 LYS C C 81 174.500 174.725 -0.225 1
1 909 . 1 1 1 A 81 81 LYS CA C 81 55.600 54.482 1.118 1
1 910 . 1 1 1 A 81 81 LYS CB C 81 35.200 35.046 0.154 1
1 914 . 1 1 1 A 81 81 LYS N N 81 124.500 122.703 1.797 1
1 915 . 1 1 1 A 82 82 PHE H H 82 8.840 8.736 0.104 1
1 916 . 1 1 1 A 82 82 PHE HA H 82 4.550 4.400 0.150 1
1 924 . 1 1 1 A 82 82 PHE C C 82 173.200 175.147 -1.947 1
1 925 . 1 1 1 A 82 82 PHE CA C 82 57.800 56.844 0.956 1
1 926 . 1 1 1 A 82 82 PHE CB C 82 40.100 39.957 0.143 1
1 932 . 1 1 1 A 82 82 PHE N N 82 127.900 124.746 3.154 1
1 933 . 1 1 1 A 83 83 GLU H H 83 7.590 8.951 -1.361 1
1 934 . 1 1 1 A 83 83 GLU HA H 83 4.120 4.579 -0.459 1
1 939 . 1 1 1 A 83 83 GLU C C 83 177.500 175.797 1.703 1
1 940 . 1 1 1 A 83 83 GLU CA C 83 58.900 57.547 1.353 1
1 941 . 1 1 1 A 83 83 GLU CB C 83 29.900 33.088 -3.188 1
1 943 . 1 1 1 A 83 83 GLU N N 83 119.400 123.209 -3.809 1
1 944 . 1 1 1 A 84 84 VAL H H 84 7.470 7.500 -0.030 1
1 945 . 1 1 1 A 84 84 VAL HA H 84 4.770 4.540 0.230 1
1 953 . 1 1 1 A 84 84 VAL C C 84 177.100 175.840 1.260 1
1 954 . 1 1 1 A 84 84 VAL CA C 84 58.500 58.829 -0.329 1
1 955 . 1 1 1 A 84 84 VAL CB C 84 36.000 35.206 0.794 1
1 958 . 1 1 1 A 84 84 VAL N N 84 108.000 115.148 -7.148 1
1 959 . 1 1 1 A 85 85 SER H H 85 8.980 9.086 -0.106 1
1 960 . 1 1 1 A 85 85 SER HA H 85 4.160 4.170 -0.010 1
1 963 . 1 1 1 A 85 85 SER C C 85 176.900 176.461 0.439 1
1 964 . 1 1 1 A 85 85 SER CA C 85 61.200 62.228 -1.028 1
1 965 . 1 1 1 A 85 85 SER CB C 85 62.600 62.818 -0.218 1
1 966 . 1 1 1 A 85 85 SER N N 85 120.300 119.943 0.357 1
1 967 . 1 1 1 A 86 86 ALA H H 86 8.370 8.265 0.105 1
1 968 . 1 1 1 A 86 86 ALA HA H 86 4.000 3.981 0.019 1
1 972 . 1 1 1 A 86 86 ALA C C 86 180.500 180.449 0.051 1
1 973 . 1 1 1 A 86 86 ALA CA C 86 55.600 55.185 0.415 1
1 974 . 1 1 1 A 86 86 ALA CB C 86 18.500 18.408 0.092 1
1 975 . 1 1 1 A 86 86 ALA N N 86 121.800 123.482 -1.682 1
1 976 . 1 1 1 A 87 87 GLU H H 87 6.920 8.159 -1.239 1
1 977 . 1 1 1 A 87 87 GLU HA H 87 3.640 3.861 -0.221 1
1 982 . 1 1 1 A 87 87 GLU C C 87 176.700 179.015 -2.315 1
1 983 . 1 1 1 A 87 87 GLU CA C 87 58.000 59.260 -1.260 1
1 984 . 1 1 1 A 87 87 GLU CB C 87 29.300 28.877 0.423 1
1 986 . 1 1 1 A 87 87 GLU N N 87 114.800 117.968 -3.168 1
1 987 . 1 1 1 A 88 88 LYS H H 88 6.520 7.656 -1.136 1
1 988 . 1 1 1 A 88 88 LYS HA H 88 3.140 4.083 -0.943 1
1 997 . 1 1 1 A 88 88 LYS C C 88 178.100 178.998 -0.898 1
1 998 . 1 1 1 A 88 88 LYS CA C 88 59.700 59.309 0.391 1
1 999 . 1 1 1 A 88 88 LYS CB C 88 32.300 32.303 -0.003 1
1 1003 . 1 1 1 A 88 88 LYS N N 88 119.900 120.824 -0.924 1
1 1004 . 1 1 1 A 89 89 LEU H H 89 7.920 7.730 0.190 1
1 1005 . 1 1 1 A 89 89 LEU HA H 89 4.080 4.035 0.045 1
1 1015 . 1 1 1 A 89 89 LEU C C 89 179.900 179.336 0.564 1
1 1016 . 1 1 1 A 89 89 LEU CA C 89 58.000 57.951 0.049 1
1 1017 . 1 1 1 A 89 89 LEU CB C 89 41.500 41.757 -0.257 1
1 1021 . 1 1 1 A 89 89 LEU N N 89 118.200 118.978 -0.778 1
1 1022 . 1 1 1 A 90 90 ILE H H 90 7.570 7.994 -0.424 1
1 1023 . 1 1 1 A 90 90 ILE HA H 90 3.710 3.612 0.098 1
1 1033 . 1 1 1 A 90 90 ILE C C 90 178.000 178.371 -0.371 1
1 1034 . 1 1 1 A 90 90 ILE CA C 90 64.700 64.938 -0.238 1
1 1035 . 1 1 1 A 90 90 ILE CB C 90 37.600 37.591 0.009 1
1 1039 . 1 1 1 A 90 90 ILE N N 90 120.400 119.229 1.171 1
1 1040 . 1 1 1 A 91 91 PHE H H 91 8.180 8.734 -0.554 1
1 1041 . 1 1 1 A 91 91 PHE HA H 91 3.920 3.883 0.037 1
1 1049 . 1 1 1 A 91 91 PHE C C 91 177.200 177.402 -0.202 1
1 1050 . 1 1 1 A 91 91 PHE CA C 91 61.600 61.322 0.278 1
1 1051 . 1 1 1 A 91 91 PHE CB C 91 39.600 39.218 0.382 1
1 1057 . 1 1 1 A 91 91 PHE N N 91 120.100 120.134 -0.034 1
1 1058 . 1 1 1 A 92 92 GLU H H 92 8.470 8.612 -0.142 1
1 1059 . 1 1 1 A 92 92 GLU HA H 92 3.620 3.753 -0.133 1
1 1064 . 1 1 1 A 92 92 GLU C C 92 179.100 178.529 0.571 1
1 1065 . 1 1 1 A 92 92 GLU CA C 92 60.100 59.027 1.073 1
1 1066 . 1 1 1 A 92 92 GLU CB C 92 29.300 29.595 -0.295 1
1 1068 . 1 1 1 A 92 92 GLU N N 92 118.800 119.644 -0.844 1
1 1069 . 1 1 1 A 93 93 LEU H H 93 7.980 8.077 -0.097 1
1 1070 . 1 1 1 A 93 93 LEU HA H 93 4.000 3.950 0.050 1
1 1080 . 1 1 1 A 93 93 LEU C C 93 180.600 178.309 2.291 1
1 1081 . 1 1 1 A 93 93 LEU CA C 93 58.300 58.070 0.230 1
1 1082 . 1 1 1 A 93 93 LEU CB C 93 41.700 41.831 -0.131 1
1 1086 . 1 1 1 A 93 93 LEU N N 93 120.800 121.076 -0.276 1
1 1087 . 1 1 1 A 94 94 LYS H H 94 8.340 7.682 0.658 1
1 1088 . 1 1 1 A 94 94 LYS HA H 94 3.990 3.856 0.134 1
1 1097 . 1 1 1 A 94 94 LYS C C 94 179.600 178.892 0.708 1
1 1098 . 1 1 1 A 94 94 LYS CA C 94 59.200 59.266 -0.066 1
1 1099 . 1 1 1 A 94 94 LYS CB C 94 33.100 32.313 0.787 1
1 1103 . 1 1 1 A 94 94 LYS N N 94 119.300 118.175 1.125 1
1 1104 . 1 1 1 A 95 95 THR H H 95 8.100 7.998 0.102 1
1 1105 . 1 1 1 A 95 95 THR HA H 95 3.640 3.226 0.414 1
1 1110 . 1 1 1 A 95 95 THR C C 95 176.800 176.321 0.479 1
1 1111 . 1 1 1 A 95 95 THR CA C 95 63.800 66.679 -2.879 1
1 1112 . 1 1 1 A 95 95 THR CB C 95 68.900 67.622 1.278 1
1 1114 . 1 1 1 A 95 95 THR N N 95 109.700 117.745 -8.045 1
1 1115 . 1 1 1 A 96 96 ARG H H 96 7.570 8.102 -0.532 1
1 1116 . 1 1 1 A 96 96 ARG HA H 96 4.060 3.980 0.080 1
1 1124 . 1 1 1 A 96 96 ARG C C 96 178.300 179.088 -0.788 1
1 1125 . 1 1 1 A 96 96 ARG CA C 96 59.500 59.830 -0.330 1
1 1126 . 1 1 1 A 96 96 ARG CB C 96 29.800 29.770 0.030 1
1 1130 . 1 1 1 A 96 96 ARG N N 96 123.200 119.737 3.463 1
1 1132 . 1 1 1 A 97 97 ALA H H 97 7.520 7.822 -0.302 1
1 1133 . 1 1 1 A 97 97 ALA HA H 97 4.130 4.047 0.083 1
1 1137 . 1 1 1 A 97 97 ALA C C 97 179.500 180.715 -1.215 1
1 1138 . 1 1 1 A 97 97 ALA CA C 97 54.100 55.008 -0.908 1
1 1139 . 1 1 1 A 97 97 ALA CB C 97 18.200 18.047 0.153 1
1 1140 . 1 1 1 A 97 97 ALA N N 97 119.700 121.772 -2.072 1
1 1141 . 1 1 1 A 98 98 LEU H H 98 7.370 8.177 -0.807 1
1 1142 . 1 1 1 A 98 98 LEU HA H 98 4.070 4.051 0.019 1
1 1152 . 1 1 1 A 98 98 LEU C C 98 178.800 178.540 0.260 1
1 1153 . 1 1 1 A 98 98 LEU CA C 98 56.500 57.720 -1.220 1
1 1154 . 1 1 1 A 98 98 LEU CB C 98 41.700 41.380 0.320 1
1 1158 . 1 1 1 A 98 98 LEU N N 98 118.300 120.566 -2.266 1
1 1159 . 1 1 1 A 99 99 ALA H H 99 7.940 7.666 0.274 1
1 1160 . 1 1 1 A 99 99 ALA HA H 99 4.250 4.118 0.132 1
1 1164 . 1 1 1 A 99 99 ALA C C 99 179.100 179.013 0.087 1
1 1165 . 1 1 1 A 99 99 ALA CA C 99 53.600 54.987 -1.387 1
1 1166 . 1 1 1 A 99 99 ALA CB C 99 18.600 18.215 0.385 1
1 1167 . 1 1 1 A 99 99 ALA N N 99 122.100 120.850 1.250 1
1 1168 . 1 1 1 A 100 100 ARG H H 100 7.840 8.044 -0.204 1
1 1169 . 1 1 1 A 100 100 ARG HA H 100 4.210 4.360 -0.150 1
1 1176 . 1 1 1 A 100 100 ARG C C 100 177.100 175.550 1.550 1
1 1177 . 1 1 1 A 100 100 ARG CA C 100 57.100 55.926 1.174 1
1 1178 . 1 1 1 A 100 100 ARG CB C 100 30.300 30.617 -0.317 1
1 1181 . 1 1 1 A 100 100 ARG N N 100 117.900 114.928 2.972 1
1 1182 . 1 1 1 A 101 101 LEU H H 101 7.890 7.939 -0.049 1
1 1183 . 1 1 1 A 101 101 LEU HA H 101 4.240 4.059 0.181 1
1 1193 . 1 1 1 A 101 101 LEU C C 101 177.800 176.759 1.041 1
1 1194 . 1 1 1 A 101 101 LEU CA C 101 55.700 55.972 -0.272 1
1 1195 . 1 1 1 A 101 101 LEU CB C 101 41.900 40.486 1.414 1
1 1199 . 1 1 1 A 101 101 LEU N N 101 120.800 116.404 4.396 1
1 1200 . 1 1 1 A 102 102 GLU H H 102 8.040 7.968 0.072 1
1 1201 . 1 1 1 A 102 102 GLU HA H 102 4.240 4.321 -0.081 1
1 1206 . 1 1 1 A 102 102 GLU C C 102 176.500 176.359 0.141 1
1 1207 . 1 1 1 A 102 102 GLU CA C 102 56.600 56.639 -0.039 1
1 1208 . 1 1 1 A 102 102 GLU CB C 102 30.000 29.147 0.853 1
1 1210 . 1 1 1 A 102 102 GLU N N 102 120.100 116.300 3.800 1
1 1211 . 1 1 1 A 103 103 HIS H H 103 8.200 7.715 0.485 1
1 1212 . 1 1 1 A 103 103 HIS HA H 103 4.540 4.397 0.143 1
1 1216 . 1 1 1 A 103 103 HIS CA C 103 56.100 57.465 -1.365 1
1 1217 . 1 1 1 A 103 103 HIS CB C 103 29.900 30.005 -0.105 1
1 1218 . 1 1 1 A 103 103 HIS N N 103 119.200 122.027 -2.827 1
1 1219 . 1 1 1 A 107 107 HIS HA H 107 4.560 3.922 0.638 1
1 1222 . 1 1 1 A 107 107 HIS C C 107 173.800 176.507 -2.707 1
1 1223 . 1 1 1 A 107 107 HIS CA C 107 55.800 58.753 -2.953 1
1 1224 . 1 1 1 A 107 107 HIS CB C 107 29.900 29.229 0.671 1
1 1 . 2 1 1 A 4 4 GLN HA H 4 4.360 4.411 -0.051 1
1 7 . 2 1 1 A 4 4 GLN C C 4 176.100 176.071 0.029 1
1 8 . 2 1 1 A 4 4 GLN CA C 4 56.000 56.208 -0.208 1
1 9 . 2 1 1 A 4 4 GLN CB C 4 29.300 29.128 0.172 1
1 11 . 2 1 1 A 5 5 THR H H 5 8.280 8.620 -0.340 1
1 12 . 2 1 1 A 5 5 THR HA H 5 4.320 4.625 -0.305 1
1 17 . 2 1 1 A 5 5 THR C C 5 174.300 174.174 0.126 1
1 18 . 2 1 1 A 5 5 THR CA C 5 62.200 60.717 1.483 1
1 19 . 2 1 1 A 5 5 THR CB C 5 69.600 71.288 -1.688 1
1 21 . 2 1 1 A 5 5 THR N N 5 115.700 112.732 2.968 1
1 22 . 2 1 1 A 6 6 CYS H H 6 8.410 8.843 -0.433 1
1 23 . 2 1 1 A 6 6 CYS HA H 6 4.540 4.233 0.307 1
1 26 . 2 1 1 A 6 6 CYS C C 6 174.400 174.620 -0.220 1
1 27 . 2 1 1 A 6 6 CYS CA C 6 58.200 59.776 -1.576 1
1 28 . 2 1 1 A 6 6 CYS CB C 6 27.800 25.366 2.434 1
1 29 . 2 1 1 A 6 6 CYS N N 6 121.900 120.266 1.634 1
1 30 . 2 1 1 A 7 7 VAL H H 7 8.290 8.113 0.177 1
1 31 . 2 1 1 A 7 7 VAL HA H 7 4.090 4.204 -0.114 1
1 39 . 2 1 1 A 7 7 VAL C C 7 176.100 177.049 -0.949 1
1 40 . 2 1 1 A 7 7 VAL CA C 7 62.400 62.151 0.249 1
1 41 . 2 1 1 A 7 7 VAL CB C 7 32.500 32.736 -0.236 1
1 44 . 2 1 1 A 7 7 VAL N N 7 122.700 126.655 -3.955 1
1 45 . 2 1 1 A 8 8 GLU H H 8 8.510 8.884 -0.374 1
1 46 . 2 1 1 A 8 8 GLU HA H 8 4.240 4.405 -0.165 1
1 51 . 2 1 1 A 8 8 GLU C C 8 176.100 176.517 -0.417 1
1 52 . 2 1 1 A 8 8 GLU CA C 8 56.900 56.898 0.002 1
1 53 . 2 1 1 A 8 8 GLU CB C 8 30.100 30.332 -0.232 1
1 55 . 2 1 1 A 8 8 GLU N N 8 124.300 126.676 -2.376 1
1 56 . 2 1 1 A 9 9 ASN H H 9 8.390 7.775 0.615 1
1 57 . 2 1 1 A 9 9 ASN HA H 9 4.650 5.020 -0.370 1
1 62 . 2 1 1 A 9 9 ASN C C 9 174.900 173.971 0.929 1
1 63 . 2 1 1 A 9 9 ASN CA C 9 53.400 52.607 0.793 1
1 64 . 2 1 1 A 9 9 ASN CB C 9 39.000 40.397 -1.397 1
1 66 . 2 1 1 A 9 9 ASN N N 9 119.300 117.623 1.677 1
1 68 . 2 1 1 A 10 10 GLU H H 10 8.330 8.696 -0.366 1
1 69 . 2 1 1 A 10 10 GLU HA H 10 4.250 4.426 -0.176 1
1 74 . 2 1 1 A 10 10 GLU C C 10 176.400 176.049 0.351 1
1 75 . 2 1 1 A 10 10 GLU CA C 10 56.800 55.402 1.398 1
1 76 . 2 1 1 A 10 10 GLU CB C 10 30.200 30.330 -0.130 1
1 78 . 2 1 1 A 10 10 GLU N N 10 121.400 125.039 -3.639 1
1 79 . 2 1 1 A 11 11 VAL H H 11 8.250 8.035 0.215 1
1 80 . 2 1 1 A 11 11 VAL HA H 11 4.090 4.088 0.002 1
1 88 . 2 1 1 A 11 11 VAL C C 11 176.100 176.995 -0.895 1
1 89 . 2 1 1 A 11 11 VAL CA C 11 62.400 62.726 -0.326 1
1 90 . 2 1 1 A 11 11 VAL CB C 11 32.500 32.505 -0.005 1
1 93 . 2 1 1 A 11 11 VAL N N 11 121.900 118.984 2.916 1
1 94 . 2 1 1 A 12 12 CYS H H 12 8.450 9.018 -0.568 1
1 95 . 2 1 1 A 12 12 CYS HA H 12 4.500 4.177 0.323 1
1 98 . 2 1 1 A 12 12 CYS C C 12 174.400 175.719 -1.319 1
1 99 . 2 1 1 A 12 12 CYS CA C 12 58.300 62.708 -4.408 1
1 100 . 2 1 1 A 12 12 CYS CB C 12 28.000 26.683 1.317 1
1 101 . 2 1 1 A 12 12 CYS N N 12 123.800 127.494 -3.694 1
1 102 . 2 1 1 A 13 13 GLU H H 13 8.560 8.078 0.482 1
1 103 . 2 1 1 A 13 13 GLU HA H 13 4.260 4.151 0.109 1
1 108 . 2 1 1 A 13 13 GLU C C 13 176.100 176.270 -0.170 1
1 109 . 2 1 1 A 13 13 GLU CA C 13 56.700 59.764 -3.064 1
1 110 . 2 1 1 A 13 13 GLU CB C 13 30.200 29.277 0.923 1
1 112 . 2 1 1 A 13 13 GLU N N 13 124.100 119.904 4.196 1
1 113 . 2 1 1 A 14 14 ALA H H 14 8.400 8.302 0.098 1
1 114 . 2 1 1 A 14 14 ALA HA H 14 4.350 4.372 -0.022 1
1 118 . 2 1 1 A 14 14 ALA C C 14 177.700 178.014 -0.314 1
1 119 . 2 1 1 A 14 14 ALA CA C 14 52.600 51.977 0.623 1
1 120 . 2 1 1 A 14 14 ALA CB C 14 19.100 20.243 -1.143 1
1 121 . 2 1 1 A 14 14 ALA N N 14 125.400 122.215 3.185 1
1 122 . 2 1 1 A 15 15 CYS H H 15 8.370 8.752 -0.382 1
1 123 . 2 1 1 A 15 15 CYS HA H 15 4.490 4.118 0.372 1
1 126 . 2 1 1 A 15 15 CYS C C 15 175.100 175.527 -0.427 1
1 127 . 2 1 1 A 15 15 CYS CA C 15 58.400 60.763 -2.363 1
1 128 . 2 1 1 A 15 15 CYS CB C 15 28.000 27.828 0.172 1
1 129 . 2 1 1 A 15 15 CYS N N 15 118.500 117.064 1.436 1
1 130 . 2 1 1 A 16 16 GLY H H 16 8.480 8.905 -0.425 1
1 131 . 2 1 1 A 16 16 GLY HA2 H 16 3.970 3.866 0.104 1
1 132 . 2 1 1 A 16 16 GLY HA3 H 16 3.970 3.869 0.101 1
1 133 . 2 1 1 A 16 16 GLY C C 16 174.100 173.383 0.717 1
1 134 . 2 1 1 A 16 16 GLY CA C 16 45.400 45.651 -0.251 1
1 135 . 2 1 1 A 16 16 GLY N N 16 111.300 109.096 2.204 1
1 136 . 2 1 1 A 17 17 CYS H H 17 8.300 7.634 0.666 1
1 137 . 2 1 1 A 17 17 CYS HA H 17 4.500 4.766 -0.266 1
1 140 . 2 1 1 A 17 17 CYS C C 17 174.500 174.448 0.052 1
1 141 . 2 1 1 A 17 17 CYS CA C 17 58.300 57.669 0.631 1
1 142 . 2 1 1 A 17 17 CYS CB C 17 28.100 30.567 -2.467 1
1 143 . 2 1 1 A 17 17 CYS N N 17 118.900 115.382 3.518 1
1 144 . 2 1 1 A 18 18 ALA H H 18 8.520 8.959 -0.439 1
1 145 . 2 1 1 A 18 18 ALA HA H 18 4.260 3.864 0.396 1
1 149 . 2 1 1 A 18 18 ALA C C 18 178.000 177.290 0.710 1
1 150 . 2 1 1 A 18 18 ALA CA C 18 52.900 53.956 -1.056 1
1 151 . 2 1 1 A 18 18 ALA CB C 18 19.000 17.876 1.124 1
1 152 . 2 1 1 A 18 18 ALA N N 18 126.800 123.467 3.333 1
1 153 . 2 1 1 A 19 19 GLY H H 19 8.310 8.334 -0.024 1
1 154 . 2 1 1 A 19 19 GLY HA2 H 19 3.890 3.901 -0.011 1
1 155 . 2 1 1 A 19 19 GLY HA3 H 19 3.890 3.938 -0.048 1
1 156 . 2 1 1 A 19 19 GLY C C 19 174.000 173.812 0.188 1
1 157 . 2 1 1 A 19 19 GLY CA C 19 45.000 45.468 -0.468 1
1 158 . 2 1 1 A 19 19 GLY N N 19 108.100 106.422 1.678 1
1 159 . 2 1 1 A 20 20 GLU H H 20 8.180 8.357 -0.177 1
1 160 . 2 1 1 A 20 20 GLU HA H 20 4.270 4.162 0.108 1
1 165 . 2 1 1 A 20 20 GLU C C 20 176.400 176.411 -0.011 1
1 166 . 2 1 1 A 20 20 GLU CA C 20 56.200 58.605 -2.405 1
1 167 . 2 1 1 A 20 20 GLU CB C 20 30.100 28.913 1.187 1
1 169 . 2 1 1 A 20 20 GLU N N 20 120.500 120.876 -0.376 1
1 170 . 2 1 1 A 21 21 ILE H H 21 8.160 8.355 -0.195 1
1 171 . 2 1 1 A 21 21 ILE HA H 21 4.020 4.384 -0.364 1
1 181 . 2 1 1 A 21 21 ILE C C 21 176.400 176.008 0.392 1
1 182 . 2 1 1 A 21 21 ILE CA C 21 61.200 61.481 -0.281 1
1 183 . 2 1 1 A 21 21 ILE CB C 21 38.200 39.200 -1.000 1
1 187 . 2 1 1 A 21 21 ILE N N 21 122.000 125.930 -3.930 1
1 188 . 2 1 1 A 22 22 GLY H H 22 8.260 7.246 1.014 1
1 189 . 2 1 1 A 22 22 GLY HA2 H 22 3.740 3.952 -0.212 1
1 190 . 2 1 1 A 22 22 GLY HA3 H 22 3.880 4.078 -0.198 1
1 191 . 2 1 1 A 22 22 GLY C C 22 173.200 171.609 1.591 1
1 192 . 2 1 1 A 22 22 GLY CA C 22 45.100 45.514 -0.414 1
1 193 . 2 1 1 A 22 22 GLY N N 22 112.500 107.516 4.984 1
1 194 . 2 1 1 A 23 23 PHE H H 23 7.890 8.531 -0.641 1
1 195 . 2 1 1 A 23 23 PHE HA H 23 4.550 4.728 -0.178 1
1 202 . 2 1 1 A 23 23 PHE CA C 23 58.100 58.503 -0.403 1
1 203 . 2 1 1 A 23 23 PHE CB C 23 41.200 39.824 1.376 1
1 206 . 2 1 1 A 23 23 PHE N N 23 119.700 120.459 -0.759 1
1 207 . 2 1 1 A 24 24 ILE HA H 24 3.970 4.252 -0.282 1
1 217 . 2 1 1 A 24 24 ILE CA C 24 62.400 60.007 2.393 1
1 218 . 2 1 1 A 24 24 ILE CB C 24 37.700 39.628 -1.928 1
1 222 . 2 1 1 A 25 25 ILE H H 25 8.950 8.851 0.099 1
1 223 . 2 1 1 A 25 25 ILE HA H 25 3.740 3.893 -0.153 1
1 233 . 2 1 1 A 25 25 ILE C C 25 175.200 175.821 -0.621 1
1 234 . 2 1 1 A 25 25 ILE CA C 25 62.700 62.037 0.663 1
1 235 . 2 1 1 A 25 25 ILE CB C 25 38.200 35.625 2.575 1
1 239 . 2 1 1 A 25 25 ILE N N 25 124.800 125.594 -0.794 1
1 240 . 2 1 1 A 26 26 ARG H H 26 8.040 7.833 0.207 1
1 241 . 2 1 1 A 26 26 ARG HA H 26 4.140 4.263 -0.123 1
1 248 . 2 1 1 A 26 26 ARG C C 26 175.900 175.644 0.256 1
1 249 . 2 1 1 A 26 26 ARG CA C 26 55.300 56.096 -0.796 1
1 250 . 2 1 1 A 26 26 ARG CB C 26 31.100 30.985 0.115 1
1 253 . 2 1 1 A 26 26 ARG N N 26 128.100 122.626 5.474 1
1 254 . 2 1 1 A 27 27 GLU H H 27 8.560 8.557 0.003 1
1 255 . 2 1 1 A 27 27 GLU HA H 27 4.030 4.393 -0.363 1
1 260 . 2 1 1 A 27 27 GLU C C 27 176.300 175.888 0.412 1
1 261 . 2 1 1 A 27 27 GLU CA C 27 57.000 56.097 0.903 1
1 262 . 2 1 1 A 27 27 GLU CB C 27 30.000 28.299 1.701 1
1 264 . 2 1 1 A 27 27 GLU N N 27 123.500 118.375 5.125 1
1 265 . 2 1 1 A 28 28 GLY H H 28 8.420 9.137 -0.717 1
1 266 . 2 1 1 A 28 28 GLY HA2 H 28 4.050 4.113 -0.063 1
1 267 . 2 1 1 A 28 28 GLY HA3 H 28 4.220 4.116 0.104 1
1 268 . 2 1 1 A 28 28 GLY C C 28 174.000 174.549 -0.549 1
1 269 . 2 1 1 A 28 28 GLY CA C 28 45.400 44.490 0.910 1
1 270 . 2 1 1 A 28 28 GLY N N 28 108.300 109.521 -1.221 1
1 271 . 2 1 1 A 29 29 ASP H H 29 8.690 8.699 -0.009 1
1 272 . 2 1 1 A 29 29 ASP HA H 29 4.430 4.493 -0.063 1
1 275 . 2 1 1 A 29 29 ASP C C 29 175.200 176.537 -1.337 1
1 276 . 2 1 1 A 29 29 ASP CA C 29 56.300 55.582 0.718 1
1 277 . 2 1 1 A 29 29 ASP CB C 29 40.300 40.356 -0.056 1
1 278 . 2 1 1 A 29 29 ASP N N 29 119.800 119.172 0.628 1
1 279 . 2 1 1 A 30 30 ASP H H 30 8.630 8.279 0.351 1
1 280 . 2 1 1 A 30 30 ASP HA H 30 4.260 4.682 -0.422 1
1 283 . 2 1 1 A 30 30 ASP C C 30 174.300 175.272 -0.972 1
1 284 . 2 1 1 A 30 30 ASP CA C 30 52.600 53.537 -0.937 1
1 285 . 2 1 1 A 30 30 ASP CB C 30 39.200 39.908 -0.708 1
1 286 . 2 1 1 A 30 30 ASP N N 30 114.900 115.825 -0.925 1
1 287 . 2 1 1 A 31 31 VAL H H 31 7.550 7.495 0.055 1
1 288 . 2 1 1 A 31 31 VAL HA H 31 5.300 4.761 0.539 1
1 296 . 2 1 1 A 31 31 VAL C C 31 175.800 174.840 0.960 1
1 297 . 2 1 1 A 31 31 VAL CA C 31 60.700 60.228 0.472 1
1 298 . 2 1 1 A 31 31 VAL CB C 31 35.000 35.027 -0.027 1
1 301 . 2 1 1 A 31 31 VAL N N 31 120.500 119.736 0.764 1
1 302 . 2 1 1 A 32 32 ALA H H 32 9.580 8.918 0.662 1
1 303 . 2 1 1 A 32 32 ALA HA H 32 5.030 5.355 -0.325 1
1 307 . 2 1 1 A 32 32 ALA C C 32 175.800 176.158 -0.358 1
1 308 . 2 1 1 A 32 32 ALA CA C 32 50.000 50.521 -0.521 1
1 309 . 2 1 1 A 32 32 ALA CB C 32 22.800 23.746 -0.946 1
1 310 . 2 1 1 A 32 32 ALA N N 32 130.500 125.848 4.652 1
1 311 . 2 1 1 A 33 33 GLU H H 33 9.270 8.825 0.445 1
1 312 . 2 1 1 A 33 33 GLU HA H 33 5.140 5.056 0.084 1
1 317 . 2 1 1 A 33 33 GLU C C 33 175.900 175.700 0.200 1
1 318 . 2 1 1 A 33 33 GLU CA C 33 55.300 55.465 -0.165 1
1 319 . 2 1 1 A 33 33 GLU CB C 33 31.500 32.245 -0.745 1
1 321 . 2 1 1 A 33 33 GLU N N 33 124.500 120.418 4.082 1
1 322 . 2 1 1 A 34 34 VAL H H 34 9.140 8.480 0.660 1
1 323 . 2 1 1 A 34 34 VAL HA H 34 4.580 4.981 -0.401 1
1 331 . 2 1 1 A 34 34 VAL C C 34 174.300 174.888 -0.588 1
1 332 . 2 1 1 A 34 34 VAL CA C 34 60.800 60.549 0.251 1
1 333 . 2 1 1 A 34 34 VAL CB C 34 35.700 34.930 0.770 1
1 336 . 2 1 1 A 34 34 VAL N N 34 124.700 123.881 0.819 1
1 337 . 2 1 1 A 35 35 SER H H 35 8.450 9.058 -0.608 1
1 338 . 2 1 1 A 35 35 SER HA H 35 5.060 5.551 -0.491 1
1 341 . 2 1 1 A 35 35 SER C C 35 172.100 172.079 0.021 1
1 342 . 2 1 1 A 35 35 SER CA C 35 56.900 56.953 -0.053 1
1 343 . 2 1 1 A 35 35 SER CB C 35 64.800 65.908 -1.108 1
1 344 . 2 1 1 A 35 35 SER N N 35 122.100 121.226 0.874 1
1 345 . 2 1 1 A 36 36 LEU H H 36 8.540 8.872 -0.332 1
1 346 . 2 1 1 A 36 36 LEU HA H 36 4.570 5.382 -0.812 1
1 356 . 2 1 1 A 36 36 LEU C C 36 174.200 173.917 0.283 1
1 357 . 2 1 1 A 36 36 LEU CA C 36 52.600 52.564 0.036 1
1 358 . 2 1 1 A 36 36 LEU CB C 36 45.600 45.682 -0.082 1
1 362 . 2 1 1 A 36 36 LEU N N 36 123.600 126.535 -2.935 1
1 363 . 2 1 1 A 37 37 PHE H H 37 8.400 9.045 -0.645 1
1 364 . 2 1 1 A 37 37 PHE HA H 37 5.300 5.294 0.006 1
1 369 . 2 1 1 A 37 37 PHE C C 37 175.600 174.473 1.127 1
1 370 . 2 1 1 A 37 37 PHE CA C 37 56.300 55.746 0.554 1
1 371 . 2 1 1 A 37 37 PHE CB C 37 42.000 41.556 0.444 1
1 374 . 2 1 1 A 37 37 PHE N N 37 118.300 127.542 -9.242 1
1 375 . 2 1 1 A 38 38 GLY H H 38 8.340 7.855 0.485 1
1 376 . 2 1 1 A 38 38 GLY HA2 H 38 3.750 4.024 -0.274 1
1 377 . 2 1 1 A 38 38 GLY HA3 H 38 4.210 4.268 -0.058 1
1 378 . 2 1 1 A 38 38 GLY CA C 38 45.600 45.691 -0.091 1
1 379 . 2 1 1 A 38 38 GLY N N 38 109.300 112.322 -3.022 1
1 380 . 2 1 1 A 39 39 SER HA H 39 4.210 4.359 -0.149 1
1 383 . 2 1 1 A 39 39 SER C C 39 173.700 173.683 0.017 1
1 384 . 2 1 1 A 39 39 SER CA C 39 60.100 56.662 3.438 1
1 385 . 2 1 1 A 39 39 SER CB C 39 63.900 64.344 -0.444 1
1 386 . 2 1 1 A 40 40 ASP H H 40 7.670 8.545 -0.875 1
1 387 . 2 1 1 A 40 40 ASP HA H 40 4.810 4.662 0.148 1
1 390 . 2 1 1 A 40 40 ASP C C 40 175.500 177.487 -1.987 1
1 391 . 2 1 1 A 40 40 ASP CA C 40 52.900 54.360 -1.460 1
1 392 . 2 1 1 A 40 40 ASP CB C 40 41.300 41.807 -0.507 1
1 393 . 2 1 1 A 40 40 ASP N N 40 115.800 122.473 -6.673 1
1 394 . 2 1 1 A 41 41 LYS H H 41 8.260 8.719 -0.459 1
1 395 . 2 1 1 A 41 41 LYS HA H 41 3.780 3.967 -0.187 1
1 404 . 2 1 1 A 41 41 LYS C C 41 177.100 178.392 -1.292 1
1 405 . 2 1 1 A 41 41 LYS CA C 41 60.500 59.481 1.019 1
1 406 . 2 1 1 A 41 41 LYS CB C 41 33.400 31.977 1.423 1
1 410 . 2 1 1 A 41 41 LYS N N 41 120.200 123.576 -3.376 1
1 411 . 2 1 1 A 42 42 ALA H H 42 8.420 8.023 0.397 1
1 412 . 2 1 1 A 42 42 ALA HA H 42 4.180 4.179 0.001 1
1 416 . 2 1 1 A 42 42 ALA C C 42 181.900 179.816 2.084 1
1 417 . 2 1 1 A 42 42 ALA CA C 42 55.400 55.091 0.309 1
1 418 . 2 1 1 A 42 42 ALA CB C 42 17.700 18.587 -0.887 1
1 419 . 2 1 1 A 42 42 ALA N N 42 120.700 121.663 -0.963 1
1 420 . 2 1 1 A 43 43 HIS H H 43 8.490 7.903 0.587 1
1 421 . 2 1 1 A 43 43 HIS HA H 43 4.330 4.310 0.020 1
1 424 . 2 1 1 A 43 43 HIS C C 43 178.800 176.886 1.914 1
1 425 . 2 1 1 A 43 43 HIS CA C 43 59.600 59.868 -0.268 1
1 426 . 2 1 1 A 43 43 HIS CB C 43 30.300 30.060 0.240 1
1 427 . 2 1 1 A 43 43 HIS N N 43 118.000 118.028 -0.028 1
1 428 . 2 1 1 A 44 44 LEU H H 44 8.340 8.260 0.080 1
1 429 . 2 1 1 A 44 44 LEU HA H 44 3.750 3.691 0.059 1
1 439 . 2 1 1 A 44 44 LEU C C 44 178.500 179.001 -0.501 1
1 440 . 2 1 1 A 44 44 LEU CA C 44 58.200 57.851 0.349 1
1 441 . 2 1 1 A 44 44 LEU CB C 44 42.100 41.227 0.873 1
1 445 . 2 1 1 A 44 44 LEU N N 44 121.500 119.157 2.343 1
1 446 . 2 1 1 A 45 45 GLU H H 45 8.880 8.731 0.149 1
1 447 . 2 1 1 A 45 45 GLU HA H 45 3.750 4.033 -0.283 1
1 452 . 2 1 1 A 45 45 GLU C C 45 180.200 180.055 0.145 1
1 453 . 2 1 1 A 45 45 GLU CA C 45 60.000 59.441 0.559 1
1 454 . 2 1 1 A 45 45 GLU CB C 45 29.000 29.097 -0.097 1
1 456 . 2 1 1 A 45 45 GLU N N 45 118.300 118.252 0.048 1
1 457 . 2 1 1 A 46 46 GLY H H 46 7.970 8.095 -0.125 1
1 458 . 2 1 1 A 46 46 GLY HA2 H 46 3.920 3.653 0.267 1
1 459 . 2 1 1 A 46 46 GLY HA3 H 46 3.920 3.695 0.225 1
1 460 . 2 1 1 A 46 46 GLY C C 46 176.500 175.680 0.820 1
1 461 . 2 1 1 A 46 46 GLY CA C 46 46.900 47.271 -0.371 1
1 462 . 2 1 1 A 46 46 GLY N N 46 108.100 109.674 -1.574 1
1 463 . 2 1 1 A 47 47 LYS H H 47 7.690 7.537 0.153 1
1 464 . 2 1 1 A 47 47 LYS HA H 47 4.320 3.958 0.362 1
1 473 . 2 1 1 A 47 47 LYS C C 47 179.400 179.357 0.043 1
1 474 . 2 1 1 A 47 47 LYS CA C 47 58.400 59.268 -0.868 1
1 475 . 2 1 1 A 47 47 LYS CB C 47 32.100 32.160 -0.060 1
1 479 . 2 1 1 A 47 47 LYS N N 47 122.400 122.190 0.210 1
1 480 . 2 1 1 A 48 48 LEU H H 48 8.550 8.400 0.150 1
1 481 . 2 1 1 A 48 48 LEU HA H 48 3.980 3.994 -0.014 1
1 491 . 2 1 1 A 48 48 LEU C C 48 178.300 178.209 0.091 1
1 492 . 2 1 1 A 48 48 LEU CA C 48 57.900 57.664 0.236 1
1 493 . 2 1 1 A 48 48 LEU CB C 48 40.800 41.240 -0.440 1
1 497 . 2 1 1 A 48 48 LEU N N 48 120.600 121.278 -0.678 1
1 498 . 2 1 1 A 49 49 ALA H H 49 7.810 8.422 -0.612 1
1 499 . 2 1 1 A 49 49 ALA HA H 49 4.000 4.002 -0.002 1
1 503 . 2 1 1 A 49 49 ALA C C 49 180.400 180.053 0.347 1
1 504 . 2 1 1 A 49 49 ALA CA C 49 55.600 55.289 0.311 1
1 505 . 2 1 1 A 49 49 ALA CB C 49 17.900 18.442 -0.542 1
1 506 . 2 1 1 A 49 49 ALA N N 49 120.000 120.692 -0.692 1
1 507 . 2 1 1 A 50 50 GLU H H 50 7.520 7.867 -0.347 1
1 508 . 2 1 1 A 50 50 GLU HA H 50 4.130 4.041 0.089 1
1 513 . 2 1 1 A 50 50 GLU C C 50 179.600 179.113 0.487 1
1 514 . 2 1 1 A 50 50 GLU CA C 50 59.200 58.685 0.515 1
1 515 . 2 1 1 A 50 50 GLU CB C 50 29.800 29.465 0.335 1
1 517 . 2 1 1 A 50 50 GLU N N 50 117.300 118.564 -1.264 1
1 518 . 2 1 1 A 51 51 TYR H H 51 7.860 8.908 -1.048 1
1 519 . 2 1 1 A 51 51 TYR HA H 51 3.900 4.169 -0.269 1
1 526 . 2 1 1 A 51 51 TYR C C 51 177.900 178.396 -0.496 1
1 527 . 2 1 1 A 51 51 TYR CA C 51 62.400 60.858 1.542 1
1 528 . 2 1 1 A 51 51 TYR CB C 51 38.200 38.047 0.153 1
1 533 . 2 1 1 A 51 51 TYR N N 51 120.300 119.408 0.892 1
1 534 . 2 1 1 A 52 52 ILE H H 52 8.590 8.045 0.545 1
1 535 . 2 1 1 A 52 52 ILE HA H 52 3.420 3.619 -0.199 1
1 545 . 2 1 1 A 52 52 ILE C C 52 177.400 178.087 -0.687 1
1 546 . 2 1 1 A 52 52 ILE CA C 52 66.200 65.198 1.002 1
1 547 . 2 1 1 A 52 52 ILE CB C 52 38.200 38.080 0.120 1
1 551 . 2 1 1 A 52 52 ILE N N 52 120.100 120.678 -0.578 1
1 552 . 2 1 1 A 53 53 SER H H 53 7.860 7.942 -0.082 1
1 553 . 2 1 1 A 53 53 SER HA H 53 4.080 4.092 -0.012 1
1 556 . 2 1 1 A 53 53 SER C C 53 177.700 176.680 1.020 1
1 557 . 2 1 1 A 53 53 SER CA C 53 61.800 62.308 -0.508 1
1 558 . 2 1 1 A 53 53 SER CB C 53 62.600 63.192 -0.592 1
1 559 . 2 1 1 A 53 53 SER N N 53 113.100 116.101 -3.001 1
1 560 . 2 1 1 A 54 54 LEU H H 54 7.610 8.328 -0.718 1
1 561 . 2 1 1 A 54 54 LEU HA H 54 4.090 4.124 -0.034 1
1 571 . 2 1 1 A 54 54 LEU C C 54 178.600 179.193 -0.593 1
1 572 . 2 1 1 A 54 54 LEU CA C 54 58.000 57.673 0.327 1
1 573 . 2 1 1 A 54 54 LEU CB C 54 42.200 41.169 1.031 1
1 577 . 2 1 1 A 54 54 LEU N N 54 121.200 121.336 -0.136 1
1 578 . 2 1 1 A 55 55 ALA H H 55 8.640 8.695 -0.055 1
1 579 . 2 1 1 A 55 55 ALA HA H 55 3.860 4.123 -0.263 1
1 583 . 2 1 1 A 55 55 ALA C C 55 179.100 179.776 -0.676 1
1 584 . 2 1 1 A 55 55 ALA CA C 55 56.200 55.620 0.580 1
1 585 . 2 1 1 A 55 55 ALA CB C 55 19.000 18.261 0.739 1
1 586 . 2 1 1 A 55 55 ALA N N 55 121.900 122.088 -0.188 1
1 587 . 2 1 1 A 56 56 LYS H H 56 8.120 7.965 0.155 1
1 588 . 2 1 1 A 56 56 LYS HA H 56 4.220 4.072 0.148 1
1 597 . 2 1 1 A 56 56 LYS C C 56 178.800 179.588 -0.788 1
1 598 . 2 1 1 A 56 56 LYS CA C 56 58.300 59.568 -1.268 1
1 599 . 2 1 1 A 56 56 LYS CB C 56 32.900 32.188 0.712 1
1 603 . 2 1 1 A 56 56 LYS N N 56 115.600 117.820 -2.220 1
1 604 . 2 1 1 A 57 57 GLN H H 57 7.590 7.638 -0.048 1
1 605 . 2 1 1 A 57 57 GLN HA H 57 4.010 4.045 -0.035 1
1 612 . 2 1 1 A 57 57 GLN C C 57 178.300 179.138 -0.838 1
1 613 . 2 1 1 A 57 57 GLN CA C 57 58.400 58.731 -0.331 1
1 614 . 2 1 1 A 57 57 GLN CB C 57 28.600 28.551 0.049 1
1 617 . 2 1 1 A 57 57 GLN N N 57 117.900 119.073 -1.173 1
1 619 . 2 1 1 A 58 58 VAL H H 58 7.650 7.977 -0.327 1
1 620 . 2 1 1 A 58 58 VAL HA H 58 3.750 3.811 -0.061 1
1 628 . 2 1 1 A 58 58 VAL C C 58 176.400 176.106 0.294 1
1 629 . 2 1 1 A 58 58 VAL CA C 58 65.500 66.009 -0.509 1
1 630 . 2 1 1 A 58 58 VAL CB C 58 32.000 32.268 -0.268 1
1 633 . 2 1 1 A 58 58 VAL N N 58 120.200 118.166 2.034 1
1 634 . 2 1 1 A 59 59 TYR H H 59 8.700 8.163 0.537 1
1 635 . 2 1 1 A 59 59 TYR HA H 59 5.040 4.886 0.154 1
1 642 . 2 1 1 A 59 59 TYR C C 59 174.100 174.098 0.002 1
1 643 . 2 1 1 A 59 59 TYR CA C 59 55.500 56.777 -1.277 1
1 644 . 2 1 1 A 59 59 TYR CB C 59 40.500 41.617 -1.117 1
1 649 . 2 1 1 A 59 59 TYR N N 59 120.400 120.200 0.200 1
1 650 . 2 1 1 A 60 60 ALA H H 60 8.900 8.162 0.738 1
1 651 . 2 1 1 A 60 60 ALA HA H 60 4.230 4.090 0.140 1
1 655 . 2 1 1 A 60 60 ALA CA C 60 55.400 52.589 2.811 1
1 656 . 2 1 1 A 60 60 ALA CB C 60 18.100 18.980 -0.880 1
1 657 . 2 1 1 A 60 60 ALA N N 60 131.000 129.306 1.694 1
1 658 . 2 1 1 A 61 61 ASN H H 61 5.430 9.083 -3.653 1
1 659 . 2 1 1 A 61 61 ASN HA H 61 4.760 4.367 0.393 1
1 664 . 2 1 1 A 61 61 ASN C C 61 173.200 175.305 -2.105 1
1 665 . 2 1 1 A 61 61 ASN CA C 61 51.800 54.019 -2.219 1
1 666 . 2 1 1 A 61 61 ASN CB C 61 37.600 37.342 0.258 1
1 668 . 2 1 1 A 61 61 ASN N N 61 111.100 118.877 -7.777 1
1 670 . 2 1 1 A 62 62 VAL H H 62 6.870 7.966 -1.096 1
1 671 . 2 1 1 A 62 62 VAL HA H 62 3.730 4.165 -0.435 1
1 679 . 2 1 1 A 62 62 VAL C C 62 172.400 175.175 -2.775 1
1 680 . 2 1 1 A 62 62 VAL CA C 62 62.500 62.579 -0.079 1
1 681 . 2 1 1 A 62 62 VAL CB C 62 31.300 32.962 -1.662 1
1 684 . 2 1 1 A 62 62 VAL N N 62 120.400 119.748 0.652 1
1 685 . 2 1 1 A 63 63 GLU H H 63 7.360 8.401 -1.041 1
1 686 . 2 1 1 A 63 63 GLU HA H 63 4.590 4.928 -0.338 1
1 691 . 2 1 1 A 63 63 GLU C C 63 174.500 175.355 -0.855 1
1 692 . 2 1 1 A 63 63 GLU CA C 63 54.000 54.718 -0.718 1
1 693 . 2 1 1 A 63 63 GLU CB C 63 32.700 32.750 -0.050 1
1 695 . 2 1 1 A 63 63 GLU N N 63 126.500 127.123 -0.623 1
1 696 . 2 1 1 A 64 64 TYR H H 64 8.300 8.431 -0.131 1
1 697 . 2 1 1 A 64 64 TYR HA H 64 5.400 5.251 0.149 1
1 704 . 2 1 1 A 64 64 TYR C C 64 173.400 172.114 1.286 1
1 705 . 2 1 1 A 64 64 TYR CA C 64 54.800 55.546 -0.746 1
1 706 . 2 1 1 A 64 64 TYR CB C 64 41.800 41.694 0.106 1
1 711 . 2 1 1 A 64 64 TYR N N 64 118.800 119.177 -0.377 1
1 712 . 2 1 1 A 65 65 GLU H H 65 8.470 8.154 0.316 1
1 713 . 2 1 1 A 65 65 GLU HA H 65 4.440 4.737 -0.297 1
1 718 . 2 1 1 A 65 65 GLU C C 65 173.800 174.371 -0.571 1
1 719 . 2 1 1 A 65 65 GLU CA C 65 54.600 55.072 -0.472 1
1 720 . 2 1 1 A 65 65 GLU CB C 65 35.000 33.992 1.008 1
1 722 . 2 1 1 A 65 65 GLU N N 65 121.300 120.049 1.251 1
1 723 . 2 1 1 A 66 66 VAL H H 66 8.780 8.810 -0.030 1
1 724 . 2 1 1 A 66 66 VAL HA H 66 4.600 4.770 -0.170 1
1 732 . 2 1 1 A 66 66 VAL C C 66 175.900 175.741 0.159 1
1 733 . 2 1 1 A 66 66 VAL CA C 66 60.800 60.823 -0.023 1
1 734 . 2 1 1 A 66 66 VAL CB C 66 33.800 34.042 -0.242 1
1 737 . 2 1 1 A 66 66 VAL N N 66 126.000 125.924 0.076 1
1 738 . 2 1 1 A 67 67 ALA H H 67 8.400 8.432 -0.032 1
1 739 . 2 1 1 A 67 67 ALA HA H 67 4.390 4.687 -0.297 1
1 743 . 2 1 1 A 67 67 ALA CA C 67 51.100 51.032 0.068 1
1 744 . 2 1 1 A 67 67 ALA CB C 67 16.800 18.668 -1.868 1
1 745 . 2 1 1 A 67 67 ALA N N 67 132.400 130.615 1.785 1
1 746 . 2 1 1 A 68 68 PRO HA H 68 4.260 4.506 -0.246 1
1 753 . 2 1 1 A 68 68 PRO C C 68 176.400 176.068 0.332 1
1 754 . 2 1 1 A 68 68 PRO CA C 68 63.800 63.434 0.366 1
1 755 . 2 1 1 A 68 68 PRO CB C 68 31.800 31.995 -0.195 1
1 758 . 2 1 1 A 69 69 VAL H H 69 8.240 8.577 -0.337 1
1 759 . 2 1 1 A 69 69 VAL HA H 69 4.360 4.639 -0.279 1
1 767 . 2 1 1 A 69 69 VAL C C 69 175.500 175.164 0.336 1
1 768 . 2 1 1 A 69 69 VAL CA C 69 60.500 60.660 -0.160 1
1 769 . 2 1 1 A 69 69 VAL CB C 69 34.200 35.610 -1.410 1
1 772 . 2 1 1 A 69 69 VAL N N 69 121.600 123.894 -2.294 1
1 773 . 2 1 1 A 70 70 ALA H H 70 8.630 8.692 -0.062 1
1 774 . 2 1 1 A 70 70 ALA HA H 70 4.370 4.510 -0.140 1
1 778 . 2 1 1 A 70 70 ALA C C 70 178.100 177.695 0.405 1
1 779 . 2 1 1 A 70 70 ALA CA C 70 51.700 51.884 -0.184 1
1 780 . 2 1 1 A 70 70 ALA CB C 70 19.700 19.826 -0.126 1
1 781 . 2 1 1 A 70 70 ALA N N 70 128.800 129.291 -0.491 1
1 782 . 2 1 1 A 71 71 ASP H H 71 8.640 8.826 -0.186 1
1 783 . 2 1 1 A 71 71 ASP HA H 71 4.330 4.334 -0.004 1
1 786 . 2 1 1 A 71 71 ASP C C 71 177.000 176.940 0.060 1
1 787 . 2 1 1 A 71 71 ASP CA C 71 57.300 57.348 -0.048 1
1 788 . 2 1 1 A 71 71 ASP CB C 71 40.300 40.797 -0.497 1
1 789 . 2 1 1 A 71 71 ASP N N 71 118.900 120.398 -1.498 1
1 790 . 2 1 1 A 72 72 ASN H H 72 8.100 7.917 0.183 1
1 791 . 2 1 1 A 72 72 ASN HA H 72 4.810 4.915 -0.105 1
1 796 . 2 1 1 A 72 72 ASN C C 72 175.300 175.895 -0.595 1
1 797 . 2 1 1 A 72 72 ASN CA C 72 51.900 52.046 -0.146 1
1 798 . 2 1 1 A 72 72 ASN CB C 72 37.400 38.704 -1.304 1
1 800 . 2 1 1 A 72 72 ASN N N 72 114.800 116.463 -1.663 1
1 802 . 2 1 1 A 73 73 ALA H H 73 7.580 7.307 0.273 1
1 803 . 2 1 1 A 73 73 ALA HA H 73 4.230 4.297 -0.067 1
1 807 . 2 1 1 A 73 73 ALA C C 73 176.300 177.894 -1.594 1
1 808 . 2 1 1 A 73 73 ALA CA C 73 53.200 52.775 0.425 1
1 809 . 2 1 1 A 73 73 ALA CB C 73 21.000 19.225 1.775 1
1 810 . 2 1 1 A 73 73 ALA N N 73 123.400 123.174 0.226 1
1 811 . 2 1 1 A 74 74 THR H H 74 8.220 8.035 0.185 1
1 812 . 2 1 1 A 74 74 THR HA H 74 4.560 4.097 0.463 1
1 817 . 2 1 1 A 74 74 THR C C 74 174.100 173.207 0.893 1
1 818 . 2 1 1 A 74 74 THR CA C 74 60.200 63.386 -3.186 1
1 819 . 2 1 1 A 74 74 THR CB C 74 69.900 66.682 3.218 1
1 821 . 2 1 1 A 74 74 THR N N 74 104.600 110.557 -5.957 1
1 822 . 2 1 1 A 75 75 GLU H H 75 7.310 7.760 -0.450 1
1 823 . 2 1 1 A 75 75 GLU HA H 75 5.190 4.986 0.204 1
1 828 . 2 1 1 A 75 75 GLU C C 75 173.600 174.004 -0.404 1
1 829 . 2 1 1 A 75 75 GLU CA C 75 54.100 55.969 -1.869 1
1 830 . 2 1 1 A 75 75 GLU CB C 75 34.100 33.323 0.777 1
1 832 . 2 1 1 A 75 75 GLU N N 75 119.100 120.974 -1.874 1
1 833 . 2 1 1 A 76 76 LEU H H 76 8.400 8.658 -0.258 1
1 834 . 2 1 1 A 76 76 LEU HA H 76 4.650 5.259 -0.609 1
1 844 . 2 1 1 A 76 76 LEU C C 76 174.100 173.828 0.272 1
1 845 . 2 1 1 A 76 76 LEU CA C 76 54.200 53.890 0.310 1
1 846 . 2 1 1 A 76 76 LEU CB C 76 47.400 46.162 1.238 1
1 850 . 2 1 1 A 76 76 LEU N N 76 122.600 125.023 -2.423 1
1 851 . 2 1 1 A 77 77 HIS H H 77 9.340 8.888 0.452 1
1 852 . 2 1 1 A 77 77 HIS HA H 77 5.440 5.654 -0.214 1
1 855 . 2 1 1 A 77 77 HIS C C 77 172.700 173.757 -1.057 1
1 856 . 2 1 1 A 77 77 HIS CA C 77 54.400 53.967 0.433 1
1 857 . 2 1 1 A 77 77 HIS CB C 77 31.700 32.528 -0.828 1
1 858 . 2 1 1 A 77 77 HIS N N 77 123.500 126.356 -2.856 1
1 859 . 2 1 1 A 78 78 ALA H H 78 9.190 8.326 0.864 1
1 860 . 2 1 1 A 78 78 ALA HA H 78 5.620 4.919 0.701 1
1 864 . 2 1 1 A 78 78 ALA C C 78 175.600 175.071 0.529 1
1 865 . 2 1 1 A 78 78 ALA CA C 78 50.300 50.874 -0.574 1
1 866 . 2 1 1 A 78 78 ALA CB C 78 24.100 24.318 -0.218 1
1 867 . 2 1 1 A 78 78 ALA N N 78 124.800 129.188 -4.388 1
1 868 . 2 1 1 A 79 79 ARG H H 79 8.680 8.147 0.533 1
1 869 . 2 1 1 A 79 79 ARG HA H 79 5.230 5.370 -0.140 1
1 874 . 2 1 1 A 79 79 ARG C C 79 173.900 174.628 -0.728 1
1 875 . 2 1 1 A 79 79 ARG CA C 79 55.300 54.492 0.808 1
1 876 . 2 1 1 A 79 79 ARG CB C 79 34.400 34.226 0.174 1
1 879 . 2 1 1 A 79 79 ARG N N 79 119.100 117.879 1.221 1
1 880 . 2 1 1 A 80 80 PHE H H 80 8.970 8.973 -0.003 1
1 881 . 2 1 1 A 80 80 PHE HA H 80 4.720 4.963 -0.243 1
1 889 . 2 1 1 A 80 80 PHE C C 80 172.700 174.115 -1.415 1
1 890 . 2 1 1 A 80 80 PHE CA C 80 56.300 56.205 0.095 1
1 891 . 2 1 1 A 80 80 PHE CB C 80 42.600 43.538 -0.938 1
1 897 . 2 1 1 A 80 80 PHE N N 80 119.200 121.105 -1.905 1
1 898 . 2 1 1 A 81 81 LYS H H 81 9.350 8.173 1.177 1
1 899 . 2 1 1 A 81 81 LYS HA H 81 4.800 5.053 -0.253 1
1 908 . 2 1 1 A 81 81 LYS C C 81 174.500 174.589 -0.089 1
1 909 . 2 1 1 A 81 81 LYS CA C 81 55.600 54.502 1.098 1
1 910 . 2 1 1 A 81 81 LYS CB C 81 35.200 34.572 0.628 1
1 914 . 2 1 1 A 81 81 LYS N N 81 124.500 122.977 1.523 1
1 915 . 2 1 1 A 82 82 PHE H H 82 8.840 8.628 0.212 1
1 916 . 2 1 1 A 82 82 PHE HA H 82 4.550 4.563 -0.013 1
1 924 . 2 1 1 A 82 82 PHE C C 82 173.200 174.961 -1.761 1
1 925 . 2 1 1 A 82 82 PHE CA C 82 57.800 56.967 0.833 1
1 926 . 2 1 1 A 82 82 PHE CB C 82 40.100 40.094 0.006 1
1 932 . 2 1 1 A 82 82 PHE N N 82 127.900 123.573 4.327 1
1 933 . 2 1 1 A 83 83 GLU H H 83 7.590 8.721 -1.131 1
1 934 . 2 1 1 A 83 83 GLU HA H 83 4.120 4.618 -0.498 1
1 939 . 2 1 1 A 83 83 GLU C C 83 177.500 175.729 1.771 1
1 940 . 2 1 1 A 83 83 GLU CA C 83 58.900 57.716 1.184 1
1 941 . 2 1 1 A 83 83 GLU CB C 83 29.900 33.145 -3.245 1
1 943 . 2 1 1 A 83 83 GLU N N 83 119.400 122.978 -3.578 1
1 944 . 2 1 1 A 84 84 VAL H H 84 7.470 7.538 -0.068 1
1 945 . 2 1 1 A 84 84 VAL HA H 84 4.770 4.555 0.215 1
1 953 . 2 1 1 A 84 84 VAL C C 84 177.100 175.766 1.334 1
1 954 . 2 1 1 A 84 84 VAL CA C 84 58.500 58.904 -0.404 1
1 955 . 2 1 1 A 84 84 VAL CB C 84 36.000 35.099 0.901 1
1 958 . 2 1 1 A 84 84 VAL N N 84 108.000 115.172 -7.172 1
1 959 . 2 1 1 A 85 85 SER H H 85 8.980 8.746 0.234 1
1 960 . 2 1 1 A 85 85 SER HA H 85 4.160 4.262 -0.102 1
1 963 . 2 1 1 A 85 85 SER C C 85 176.900 176.831 0.069 1
1 964 . 2 1 1 A 85 85 SER CA C 85 61.200 60.947 0.253 1
1 965 . 2 1 1 A 85 85 SER CB C 85 62.600 63.154 -0.554 1
1 966 . 2 1 1 A 85 85 SER N N 85 120.300 118.259 2.041 1
1 967 . 2 1 1 A 86 86 ALA H H 86 8.370 8.313 0.057 1
1 968 . 2 1 1 A 86 86 ALA HA H 86 4.000 3.898 0.102 1
1 972 . 2 1 1 A 86 86 ALA C C 86 180.500 179.496 1.004 1
1 973 . 2 1 1 A 86 86 ALA CA C 86 55.600 55.429 0.171 1
1 974 . 2 1 1 A 86 86 ALA CB C 86 18.500 18.038 0.462 1
1 975 . 2 1 1 A 86 86 ALA N N 86 121.800 124.951 -3.151 1
1 976 . 2 1 1 A 87 87 GLU H H 87 6.920 7.796 -0.876 1
1 977 . 2 1 1 A 87 87 GLU HA H 87 3.640 3.907 -0.267 1
1 982 . 2 1 1 A 87 87 GLU C C 87 176.700 178.952 -2.252 1
1 983 . 2 1 1 A 87 87 GLU CA C 87 58.000 58.820 -0.820 1
1 984 . 2 1 1 A 87 87 GLU CB C 87 29.300 28.919 0.381 1
1 986 . 2 1 1 A 87 87 GLU N N 87 114.800 118.026 -3.226 1
1 987 . 2 1 1 A 88 88 LYS H H 88 6.520 7.713 -1.193 1
1 988 . 2 1 1 A 88 88 LYS HA H 88 3.140 3.880 -0.740 1
1 997 . 2 1 1 A 88 88 LYS C C 88 178.100 178.952 -0.852 1
1 998 . 2 1 1 A 88 88 LYS CA C 88 59.700 59.278 0.422 1
1 999 . 2 1 1 A 88 88 LYS CB C 88 32.300 32.051 0.249 1
1 1003 . 2 1 1 A 88 88 LYS N N 88 119.900 120.913 -1.013 1
1 1004 . 2 1 1 A 89 89 LEU H H 89 7.920 7.694 0.226 1
1 1005 . 2 1 1 A 89 89 LEU HA H 89 4.080 4.046 0.034 1
1 1015 . 2 1 1 A 89 89 LEU C C 89 179.900 179.136 0.764 1
1 1016 . 2 1 1 A 89 89 LEU CA C 89 58.000 58.059 -0.059 1
1 1017 . 2 1 1 A 89 89 LEU CB C 89 41.500 41.744 -0.244 1
1 1021 . 2 1 1 A 89 89 LEU N N 89 118.200 118.743 -0.543 1
1 1022 . 2 1 1 A 90 90 ILE H H 90 7.570 7.638 -0.068 1
1 1023 . 2 1 1 A 90 90 ILE HA H 90 3.710 3.568 0.142 1
1 1033 . 2 1 1 A 90 90 ILE C C 90 178.000 178.189 -0.189 1
1 1034 . 2 1 1 A 90 90 ILE CA C 90 64.700 65.023 -0.323 1
1 1035 . 2 1 1 A 90 90 ILE CB C 90 37.600 37.717 -0.117 1
1 1039 . 2 1 1 A 90 90 ILE N N 90 120.400 119.635 0.765 1
1 1040 . 2 1 1 A 91 91 PHE H H 91 8.180 8.879 -0.699 1
1 1041 . 2 1 1 A 91 91 PHE HA H 91 3.920 3.871 0.049 1
1 1049 . 2 1 1 A 91 91 PHE C C 91 177.200 177.200 0.000 1
1 1050 . 2 1 1 A 91 91 PHE CA C 91 61.600 61.552 0.048 1
1 1051 . 2 1 1 A 91 91 PHE CB C 91 39.600 39.173 0.427 1
1 1057 . 2 1 1 A 91 91 PHE N N 91 120.100 120.097 0.003 1
1 1058 . 2 1 1 A 92 92 GLU H H 92 8.470 8.294 0.176 1
1 1059 . 2 1 1 A 92 92 GLU HA H 92 3.620 3.930 -0.310 1
1 1064 . 2 1 1 A 92 92 GLU C C 92 179.100 178.596 0.504 1
1 1065 . 2 1 1 A 92 92 GLU CA C 92 60.100 59.135 0.965 1
1 1066 . 2 1 1 A 92 92 GLU CB C 92 29.300 29.568 -0.268 1
1 1068 . 2 1 1 A 92 92 GLU N N 92 118.800 119.532 -0.732 1
1 1069 . 2 1 1 A 93 93 LEU H H 93 7.980 8.196 -0.216 1
1 1070 . 2 1 1 A 93 93 LEU HA H 93 4.000 4.008 -0.008 1
1 1080 . 2 1 1 A 93 93 LEU C C 93 180.600 178.138 2.462 1
1 1081 . 2 1 1 A 93 93 LEU CA C 93 58.300 58.008 0.292 1
1 1082 . 2 1 1 A 93 93 LEU CB C 93 41.700 41.708 -0.008 1
1 1086 . 2 1 1 A 93 93 LEU N N 93 120.800 121.059 -0.259 1
1 1087 . 2 1 1 A 94 94 LYS H H 94 8.340 8.612 -0.272 1
1 1088 . 2 1 1 A 94 94 LYS HA H 94 3.990 3.822 0.168 1
1 1097 . 2 1 1 A 94 94 LYS C C 94 179.600 178.886 0.714 1
1 1098 . 2 1 1 A 94 94 LYS CA C 94 59.200 59.809 -0.609 1
1 1099 . 2 1 1 A 94 94 LYS CB C 94 33.100 31.987 1.113 1
1 1103 . 2 1 1 A 94 94 LYS N N 94 119.300 118.992 0.308 1
1 1104 . 2 1 1 A 95 95 THR H H 95 8.100 7.864 0.236 1
1 1105 . 2 1 1 A 95 95 THR HA H 95 3.640 3.438 0.202 1
1 1110 . 2 1 1 A 95 95 THR C C 95 176.800 176.271 0.529 1
1 1111 . 2 1 1 A 95 95 THR CA C 95 63.800 65.206 -1.406 1
1 1112 . 2 1 1 A 95 95 THR CB C 95 68.900 67.358 1.542 1
1 1114 . 2 1 1 A 95 95 THR N N 95 109.700 113.781 -4.081 1
1 1115 . 2 1 1 A 96 96 ARG H H 96 7.570 8.066 -0.496 1
1 1116 . 2 1 1 A 96 96 ARG HA H 96 4.060 4.077 -0.017 1
1 1124 . 2 1 1 A 96 96 ARG C C 96 178.300 177.927 0.373 1
1 1125 . 2 1 1 A 96 96 ARG CA C 96 59.500 59.507 -0.007 1
1 1126 . 2 1 1 A 96 96 ARG CB C 96 29.800 29.902 -0.102 1
1 1130 . 2 1 1 A 96 96 ARG N N 96 123.200 122.236 0.964 1
1 1132 . 2 1 1 A 97 97 ALA H H 97 7.520 8.345 -0.825 1
1 1133 . 2 1 1 A 97 97 ALA HA H 97 4.130 4.009 0.121 1
1 1137 . 2 1 1 A 97 97 ALA C C 97 179.500 179.914 -0.414 1
1 1138 . 2 1 1 A 97 97 ALA CA C 97 54.100 54.838 -0.738 1
1 1139 . 2 1 1 A 97 97 ALA CB C 97 18.200 18.172 0.028 1
1 1140 . 2 1 1 A 97 97 ALA N N 97 119.700 122.212 -2.512 1
1 1141 . 2 1 1 A 98 98 LEU H H 98 7.370 7.732 -0.362 1
1 1142 . 2 1 1 A 98 98 LEU HA H 98 4.070 3.978 0.092 1
1 1152 . 2 1 1 A 98 98 LEU C C 98 178.800 178.451 0.349 1
1 1153 . 2 1 1 A 98 98 LEU CA C 98 56.500 57.966 -1.466 1
1 1154 . 2 1 1 A 98 98 LEU CB C 98 41.700 41.267 0.433 1
1 1158 . 2 1 1 A 98 98 LEU N N 98 118.300 120.441 -2.141 1
1 1159 . 2 1 1 A 99 99 ALA H H 99 7.940 8.093 -0.153 1
1 1160 . 2 1 1 A 99 99 ALA HA H 99 4.250 4.035 0.215 1
1 1164 . 2 1 1 A 99 99 ALA C C 99 179.100 179.638 -0.538 1
1 1165 . 2 1 1 A 99 99 ALA CA C 99 53.600 55.749 -2.149 1
1 1166 . 2 1 1 A 99 99 ALA CB C 99 18.600 18.590 0.010 1
1 1167 . 2 1 1 A 99 99 ALA N N 99 122.100 120.971 1.129 1
1 1168 . 2 1 1 A 100 100 ARG H H 100 7.840 8.109 -0.269 1
1 1169 . 2 1 1 A 100 100 ARG HA H 100 4.210 4.270 -0.060 1
1 1176 . 2 1 1 A 100 100 ARG C C 100 177.100 175.715 1.385 1
1 1177 . 2 1 1 A 100 100 ARG CA C 100 57.100 57.675 -0.575 1
1 1178 . 2 1 1 A 100 100 ARG CB C 100 30.300 29.915 0.385 1
1 1181 . 2 1 1 A 100 100 ARG N N 100 117.900 114.676 3.224 1
1 1182 . 2 1 1 A 101 101 LEU H H 101 7.890 7.484 0.406 1
1 1183 . 2 1 1 A 101 101 LEU HA H 101 4.240 4.680 -0.440 1
1 1193 . 2 1 1 A 101 101 LEU C C 101 177.800 176.050 1.750 1
1 1194 . 2 1 1 A 101 101 LEU CA C 101 55.700 54.198 1.502 1
1 1195 . 2 1 1 A 101 101 LEU CB C 101 41.900 43.690 -1.790 1
1 1199 . 2 1 1 A 101 101 LEU N N 101 120.800 122.106 -1.306 1
1 1200 . 2 1 1 A 102 102 GLU H H 102 8.040 8.648 -0.608 1
1 1201 . 2 1 1 A 102 102 GLU HA H 102 4.240 4.329 -0.089 1
1 1206 . 2 1 1 A 102 102 GLU C C 102 176.500 177.808 -1.308 1
1 1207 . 2 1 1 A 102 102 GLU CA C 102 56.600 56.944 -0.344 1
1 1208 . 2 1 1 A 102 102 GLU CB C 102 30.000 30.107 -0.107 1
1 1210 . 2 1 1 A 102 102 GLU N N 102 120.100 126.175 -6.075 1
1 1211 . 2 1 1 A 103 103 HIS H H 103 8.200 9.018 -0.818 1
1 1212 . 2 1 1 A 103 103 HIS HA H 103 4.540 4.130 0.410 1
1 1216 . 2 1 1 A 103 103 HIS CA C 103 56.100 59.591 -3.491 1
1 1217 . 2 1 1 A 103 103 HIS CB C 103 29.900 30.298 -0.398 1
1 1218 . 2 1 1 A 103 103 HIS N N 103 119.200 122.565 -3.365 1
1 1219 . 2 1 1 A 107 107 HIS HA H 107 4.560 4.037 0.523 1
1 1222 . 2 1 1 A 107 107 HIS C C 107 173.800 177.738 -3.938 1
1 1223 . 2 1 1 A 107 107 HIS CA C 107 55.800 59.037 -3.237 1
1 1224 . 2 1 1 A 107 107 HIS CB C 107 29.900 29.382 0.518 1
1 1 . 3 1 1 A 4 4 GLN HA H 4 4.360 4.667 -0.307 1
1 7 . 3 1 1 A 4 4 GLN C C 4 176.100 174.156 1.944 1
1 8 . 3 1 1 A 4 4 GLN CA C 4 56.000 55.613 0.387 1
1 9 . 3 1 1 A 4 4 GLN CB C 4 29.300 30.683 -1.383 1
1 11 . 3 1 1 A 5 5 THR H H 5 8.280 8.775 -0.495 1
1 12 . 3 1 1 A 5 5 THR HA H 5 4.320 4.533 -0.213 1
1 17 . 3 1 1 A 5 5 THR C C 5 174.300 174.396 -0.096 1
1 18 . 3 1 1 A 5 5 THR CA C 5 62.200 63.509 -1.309 1
1 19 . 3 1 1 A 5 5 THR CB C 5 69.600 69.466 0.134 1
1 21 . 3 1 1 A 5 5 THR N N 5 115.700 121.460 -5.760 1
1 22 . 3 1 1 A 6 6 CYS H H 6 8.410 8.685 -0.275 1
1 23 . 3 1 1 A 6 6 CYS HA H 6 4.540 5.315 -0.775 1
1 26 . 3 1 1 A 6 6 CYS C C 6 174.400 173.559 0.841 1
1 27 . 3 1 1 A 6 6 CYS CA C 6 58.200 57.713 0.487 1
1 28 . 3 1 1 A 6 6 CYS CB C 6 27.800 30.420 -2.620 1
1 29 . 3 1 1 A 6 6 CYS N N 6 121.900 124.292 -2.392 1
1 30 . 3 1 1 A 7 7 VAL H H 7 8.290 8.924 -0.634 1
1 31 . 3 1 1 A 7 7 VAL HA H 7 4.090 4.807 -0.717 1
1 39 . 3 1 1 A 7 7 VAL C C 7 176.100 175.630 0.470 1
1 40 . 3 1 1 A 7 7 VAL CA C 7 62.400 60.119 2.281 1
1 41 . 3 1 1 A 7 7 VAL CB C 7 32.500 34.376 -1.876 1
1 44 . 3 1 1 A 7 7 VAL N N 7 122.700 120.124 2.576 1
1 45 . 3 1 1 A 8 8 GLU H H 8 8.510 8.561 -0.051 1
1 46 . 3 1 1 A 8 8 GLU HA H 8 4.240 4.315 -0.075 1
1 51 . 3 1 1 A 8 8 GLU C C 8 176.100 176.663 -0.563 1
1 52 . 3 1 1 A 8 8 GLU CA C 8 56.900 57.072 -0.172 1
1 53 . 3 1 1 A 8 8 GLU CB C 8 30.100 30.002 0.098 1
1 55 . 3 1 1 A 8 8 GLU N N 8 124.300 124.283 0.017 1
1 56 . 3 1 1 A 9 9 ASN H H 9 8.390 8.712 -0.322 1
1 57 . 3 1 1 A 9 9 ASN HA H 9 4.650 5.098 -0.448 1
1 62 . 3 1 1 A 9 9 ASN C C 9 174.900 174.583 0.317 1
1 63 . 3 1 1 A 9 9 ASN CA C 9 53.400 53.171 0.229 1
1 64 . 3 1 1 A 9 9 ASN CB C 9 39.000 40.110 -1.110 1
1 66 . 3 1 1 A 9 9 ASN N N 9 119.300 121.374 -2.074 1
1 68 . 3 1 1 A 10 10 GLU H H 10 8.330 9.089 -0.759 1
1 69 . 3 1 1 A 10 10 GLU HA H 10 4.250 5.109 -0.859 1
1 74 . 3 1 1 A 10 10 GLU C C 10 176.400 175.442 0.958 1
1 75 . 3 1 1 A 10 10 GLU CA C 10 56.800 55.226 1.574 1
1 76 . 3 1 1 A 10 10 GLU CB C 10 30.200 31.274 -1.074 1
1 78 . 3 1 1 A 10 10 GLU N N 10 121.400 119.071 2.329 1
1 79 . 3 1 1 A 11 11 VAL H H 11 8.250 8.735 -0.485 1
1 80 . 3 1 1 A 11 11 VAL HA H 11 4.090 4.912 -0.822 1
1 88 . 3 1 1 A 11 11 VAL C C 11 176.100 175.604 0.496 1
1 89 . 3 1 1 A 11 11 VAL CA C 11 62.400 60.815 1.585 1
1 90 . 3 1 1 A 11 11 VAL CB C 11 32.500 33.559 -1.059 1
1 93 . 3 1 1 A 11 11 VAL N N 11 121.900 120.672 1.228 1
1 94 . 3 1 1 A 12 12 CYS H H 12 8.450 8.791 -0.341 1
1 95 . 3 1 1 A 12 12 CYS HA H 12 4.500 4.907 -0.407 1
1 98 . 3 1 1 A 12 12 CYS C C 12 174.400 175.018 -0.618 1
1 99 . 3 1 1 A 12 12 CYS CA C 12 58.300 58.206 0.094 1
1 100 . 3 1 1 A 12 12 CYS CB C 12 28.000 28.227 -0.227 1
1 101 . 3 1 1 A 12 12 CYS N N 12 123.800 121.196 2.604 1
1 102 . 3 1 1 A 13 13 GLU H H 13 8.560 7.778 0.782 1
1 103 . 3 1 1 A 13 13 GLU HA H 13 4.260 4.365 -0.105 1
1 108 . 3 1 1 A 13 13 GLU C C 13 176.100 176.538 -0.438 1
1 109 . 3 1 1 A 13 13 GLU CA C 13 56.700 56.918 -0.218 1
1 110 . 3 1 1 A 13 13 GLU CB C 13 30.200 30.455 -0.255 1
1 112 . 3 1 1 A 13 13 GLU N N 13 124.100 121.962 2.138 1
1 113 . 3 1 1 A 14 14 ALA H H 14 8.400 8.718 -0.318 1
1 114 . 3 1 1 A 14 14 ALA HA H 14 4.350 4.406 -0.056 1
1 118 . 3 1 1 A 14 14 ALA C C 14 177.700 177.980 -0.280 1
1 119 . 3 1 1 A 14 14 ALA CA C 14 52.600 52.209 0.391 1
1 120 . 3 1 1 A 14 14 ALA CB C 14 19.100 19.133 -0.033 1
1 121 . 3 1 1 A 14 14 ALA N N 14 125.400 124.209 1.191 1
1 122 . 3 1 1 A 15 15 CYS H H 15 8.370 9.095 -0.725 1
1 123 . 3 1 1 A 15 15 CYS HA H 15 4.490 4.110 0.380 1
1 126 . 3 1 1 A 15 15 CYS C C 15 175.100 175.264 -0.164 1
1 127 . 3 1 1 A 15 15 CYS CA C 15 58.400 60.877 -2.477 1
1 128 . 3 1 1 A 15 15 CYS CB C 15 28.000 28.279 -0.279 1
1 129 . 3 1 1 A 15 15 CYS N N 15 118.500 120.679 -2.179 1
1 130 . 3 1 1 A 16 16 GLY H H 16 8.480 7.797 0.683 1
1 131 . 3 1 1 A 16 16 GLY HA2 H 16 3.970 3.901 0.069 1
1 132 . 3 1 1 A 16 16 GLY HA3 H 16 3.970 3.903 0.067 1
1 133 . 3 1 1 A 16 16 GLY C C 16 174.100 174.378 -0.278 1
1 134 . 3 1 1 A 16 16 GLY CA C 16 45.400 46.181 -0.781 1
1 135 . 3 1 1 A 16 16 GLY N N 16 111.300 108.294 3.006 1
1 136 . 3 1 1 A 17 17 CYS H H 17 8.300 8.301 -0.001 1
1 137 . 3 1 1 A 17 17 CYS HA H 17 4.500 4.181 0.319 1
1 140 . 3 1 1 A 17 17 CYS C C 17 174.500 174.143 0.357 1
1 141 . 3 1 1 A 17 17 CYS CA C 17 58.300 60.476 -2.176 1
1 142 . 3 1 1 A 17 17 CYS CB C 17 28.100 26.135 1.965 1
1 143 . 3 1 1 A 17 17 CYS N N 17 118.900 112.598 6.302 1
1 144 . 3 1 1 A 18 18 ALA H H 18 8.520 8.311 0.209 1
1 145 . 3 1 1 A 18 18 ALA HA H 18 4.260 3.877 0.383 1
1 149 . 3 1 1 A 18 18 ALA C C 18 178.000 177.367 0.633 1
1 150 . 3 1 1 A 18 18 ALA CA C 18 52.900 54.371 -1.471 1
1 151 . 3 1 1 A 18 18 ALA CB C 18 19.000 18.027 0.973 1
1 152 . 3 1 1 A 18 18 ALA N N 18 126.800 114.648 12.152 1
1 153 . 3 1 1 A 19 19 GLY H H 19 8.310 8.514 -0.204 1
1 154 . 3 1 1 A 19 19 GLY HA2 H 19 3.890 3.986 -0.096 1
1 155 . 3 1 1 A 19 19 GLY HA3 H 19 3.890 3.986 -0.096 1
1 156 . 3 1 1 A 19 19 GLY C C 19 174.000 172.896 1.104 1
1 157 . 3 1 1 A 19 19 GLY CA C 19 45.000 45.158 -0.158 1
1 158 . 3 1 1 A 19 19 GLY N N 19 108.100 108.349 -0.249 1
1 159 . 3 1 1 A 20 20 GLU H H 20 8.180 8.671 -0.491 1
1 160 . 3 1 1 A 20 20 GLU HA H 20 4.270 4.528 -0.258 1
1 165 . 3 1 1 A 20 20 GLU C C 20 176.400 175.804 0.596 1
1 166 . 3 1 1 A 20 20 GLU CA C 20 56.200 56.144 0.056 1
1 167 . 3 1 1 A 20 20 GLU CB C 20 30.100 31.296 -1.196 1
1 169 . 3 1 1 A 20 20 GLU N N 20 120.500 121.680 -1.180 1
1 170 . 3 1 1 A 21 21 ILE H H 21 8.160 9.189 -1.029 1
1 171 . 3 1 1 A 21 21 ILE HA H 21 4.020 3.530 0.490 1
1 181 . 3 1 1 A 21 21 ILE C C 21 176.400 175.956 0.444 1
1 182 . 3 1 1 A 21 21 ILE CA C 21 61.200 63.369 -2.169 1
1 183 . 3 1 1 A 21 21 ILE CB C 21 38.200 36.473 1.727 1
1 187 . 3 1 1 A 21 21 ILE N N 21 122.000 128.211 -6.211 1
1 188 . 3 1 1 A 22 22 GLY H H 22 8.260 7.943 0.317 1
1 189 . 3 1 1 A 22 22 GLY HA2 H 22 3.740 3.803 -0.063 1
1 190 . 3 1 1 A 22 22 GLY HA3 H 22 3.880 3.834 0.046 1
1 191 . 3 1 1 A 22 22 GLY C C 22 173.200 174.408 -1.208 1
1 192 . 3 1 1 A 22 22 GLY CA C 22 45.100 46.783 -1.683 1
1 193 . 3 1 1 A 22 22 GLY N N 22 112.500 108.453 4.047 1
1 194 . 3 1 1 A 23 23 PHE H H 23 7.890 7.859 0.031 1
1 195 . 3 1 1 A 23 23 PHE HA H 23 4.550 4.451 0.099 1
1 202 . 3 1 1 A 23 23 PHE CA C 23 58.100 58.097 0.003 1
1 203 . 3 1 1 A 23 23 PHE CB C 23 41.200 39.330 1.870 1
1 206 . 3 1 1 A 23 23 PHE N N 23 119.700 120.367 -0.667 1
1 207 . 3 1 1 A 24 24 ILE HA H 24 3.970 3.794 0.176 1
1 217 . 3 1 1 A 24 24 ILE CA C 24 62.400 63.664 -1.264 1
1 218 . 3 1 1 A 24 24 ILE CB C 24 37.700 36.705 0.995 1
1 222 . 3 1 1 A 25 25 ILE H H 25 8.950 8.030 0.920 1
1 223 . 3 1 1 A 25 25 ILE HA H 25 3.740 4.209 -0.469 1
1 233 . 3 1 1 A 25 25 ILE C C 25 175.200 175.744 -0.544 1
1 234 . 3 1 1 A 25 25 ILE CA C 25 62.700 60.631 2.069 1
1 235 . 3 1 1 A 25 25 ILE CB C 25 38.200 38.971 -0.771 1
1 239 . 3 1 1 A 25 25 ILE N N 25 124.800 120.981 3.819 1
1 240 . 3 1 1 A 26 26 ARG H H 26 8.040 8.364 -0.324 1
1 241 . 3 1 1 A 26 26 ARG HA H 26 4.140 4.547 -0.407 1
1 248 . 3 1 1 A 26 26 ARG C C 26 175.900 176.418 -0.518 1
1 249 . 3 1 1 A 26 26 ARG CA C 26 55.300 55.671 -0.371 1
1 250 . 3 1 1 A 26 26 ARG CB C 26 31.100 31.390 -0.290 1
1 253 . 3 1 1 A 26 26 ARG N N 26 128.100 123.487 4.613 1
1 254 . 3 1 1 A 27 27 GLU H H 27 8.560 8.827 -0.267 1
1 255 . 3 1 1 A 27 27 GLU HA H 27 4.030 4.143 -0.113 1
1 260 . 3 1 1 A 27 27 GLU C C 27 176.300 176.983 -0.683 1
1 261 . 3 1 1 A 27 27 GLU CA C 27 57.000 58.142 -1.142 1
1 262 . 3 1 1 A 27 27 GLU CB C 27 30.000 30.139 -0.139 1
1 264 . 3 1 1 A 27 27 GLU N N 27 123.500 121.667 1.833 1
1 265 . 3 1 1 A 28 28 GLY H H 28 8.420 8.459 -0.039 1
1 266 . 3 1 1 A 28 28 GLY HA2 H 28 4.050 4.146 -0.096 1
1 267 . 3 1 1 A 28 28 GLY HA3 H 28 4.220 4.155 0.065 1
1 268 . 3 1 1 A 28 28 GLY C C 28 174.000 173.869 0.131 1
1 269 . 3 1 1 A 28 28 GLY CA C 28 45.400 44.566 0.834 1
1 270 . 3 1 1 A 28 28 GLY N N 28 108.300 109.665 -1.365 1
1 271 . 3 1 1 A 29 29 ASP H H 29 8.690 9.259 -0.569 1
1 272 . 3 1 1 A 29 29 ASP HA H 29 4.430 4.233 0.197 1
1 275 . 3 1 1 A 29 29 ASP C C 29 175.200 174.884 0.316 1
1 276 . 3 1 1 A 29 29 ASP CA C 29 56.300 54.785 1.515 1
1 277 . 3 1 1 A 29 29 ASP CB C 29 40.300 39.373 0.927 1
1 278 . 3 1 1 A 29 29 ASP N N 29 119.800 121.885 -2.085 1
1 279 . 3 1 1 A 30 30 ASP H H 30 8.630 8.565 0.065 1
1 280 . 3 1 1 A 30 30 ASP HA H 30 4.260 4.123 0.137 1
1 283 . 3 1 1 A 30 30 ASP C C 30 174.300 174.877 -0.577 1
1 284 . 3 1 1 A 30 30 ASP CA C 30 52.600 55.239 -2.639 1
1 285 . 3 1 1 A 30 30 ASP CB C 30 39.200 39.125 0.075 1
1 286 . 3 1 1 A 30 30 ASP N N 30 114.900 111.492 3.408 1
1 287 . 3 1 1 A 31 31 VAL H H 31 7.550 7.624 -0.074 1
1 288 . 3 1 1 A 31 31 VAL HA H 31 5.300 4.753 0.547 1
1 296 . 3 1 1 A 31 31 VAL C C 31 175.800 174.711 1.089 1
1 297 . 3 1 1 A 31 31 VAL CA C 31 60.700 60.723 -0.023 1
1 298 . 3 1 1 A 31 31 VAL CB C 31 35.000 34.604 0.396 1
1 301 . 3 1 1 A 31 31 VAL N N 31 120.500 118.527 1.973 1
1 302 . 3 1 1 A 32 32 ALA H H 32 9.580 9.301 0.279 1
1 303 . 3 1 1 A 32 32 ALA HA H 32 5.030 5.388 -0.358 1
1 307 . 3 1 1 A 32 32 ALA C C 32 175.800 175.915 -0.115 1
1 308 . 3 1 1 A 32 32 ALA CA C 32 50.000 50.189 -0.189 1
1 309 . 3 1 1 A 32 32 ALA CB C 32 22.800 23.184 -0.384 1
1 310 . 3 1 1 A 32 32 ALA N N 32 130.500 129.112 1.388 1
1 311 . 3 1 1 A 33 33 GLU H H 33 9.270 8.898 0.372 1
1 312 . 3 1 1 A 33 33 GLU HA H 33 5.140 5.240 -0.100 1
1 317 . 3 1 1 A 33 33 GLU C C 33 175.900 175.483 0.417 1
1 318 . 3 1 1 A 33 33 GLU CA C 33 55.300 55.362 -0.062 1
1 319 . 3 1 1 A 33 33 GLU CB C 33 31.500 32.173 -0.673 1
1 321 . 3 1 1 A 33 33 GLU N N 33 124.500 121.339 3.161 1
1 322 . 3 1 1 A 34 34 VAL H H 34 9.140 9.119 0.021 1
1 323 . 3 1 1 A 34 34 VAL HA H 34 4.580 5.002 -0.422 1
1 331 . 3 1 1 A 34 34 VAL C C 34 174.300 175.111 -0.811 1
1 332 . 3 1 1 A 34 34 VAL CA C 34 60.800 60.917 -0.117 1
1 333 . 3 1 1 A 34 34 VAL CB C 34 35.700 34.881 0.819 1
1 336 . 3 1 1 A 34 34 VAL N N 34 124.700 124.451 0.249 1
1 337 . 3 1 1 A 35 35 SER H H 35 8.450 9.222 -0.772 1
1 338 . 3 1 1 A 35 35 SER HA H 35 5.060 5.528 -0.468 1
1 341 . 3 1 1 A 35 35 SER C C 35 172.100 172.283 -0.183 1
1 342 . 3 1 1 A 35 35 SER CA C 35 56.900 56.512 0.388 1
1 343 . 3 1 1 A 35 35 SER CB C 35 64.800 65.479 -0.679 1
1 344 . 3 1 1 A 35 35 SER N N 35 122.100 121.819 0.281 1
1 345 . 3 1 1 A 36 36 LEU H H 36 8.540 8.788 -0.248 1
1 346 . 3 1 1 A 36 36 LEU HA H 36 4.570 5.336 -0.766 1
1 356 . 3 1 1 A 36 36 LEU C C 36 174.200 174.027 0.173 1
1 357 . 3 1 1 A 36 36 LEU CA C 36 52.600 52.830 -0.230 1
1 358 . 3 1 1 A 36 36 LEU CB C 36 45.600 45.402 0.198 1
1 362 . 3 1 1 A 36 36 LEU N N 36 123.600 126.582 -2.982 1
1 363 . 3 1 1 A 37 37 PHE H H 37 8.400 8.956 -0.556 1
1 364 . 3 1 1 A 37 37 PHE HA H 37 5.300 5.315 -0.015 1
1 369 . 3 1 1 A 37 37 PHE C C 37 175.600 174.363 1.237 1
1 370 . 3 1 1 A 37 37 PHE CA C 37 56.300 55.531 0.769 1
1 371 . 3 1 1 A 37 37 PHE CB C 37 42.000 41.520 0.480 1
1 374 . 3 1 1 A 37 37 PHE N N 37 118.300 127.850 -9.550 1
1 375 . 3 1 1 A 38 38 GLY H H 38 8.340 7.809 0.531 1
1 376 . 3 1 1 A 38 38 GLY HA2 H 38 3.750 3.989 -0.239 1
1 377 . 3 1 1 A 38 38 GLY HA3 H 38 4.210 4.152 0.058 1
1 378 . 3 1 1 A 38 38 GLY CA C 38 45.600 45.452 0.148 1
1 379 . 3 1 1 A 38 38 GLY N N 38 109.300 112.377 -3.077 1
1 380 . 3 1 1 A 39 39 SER HA H 39 4.210 4.214 -0.004 1
1 383 . 3 1 1 A 39 39 SER C C 39 173.700 173.444 0.256 1
1 384 . 3 1 1 A 39 39 SER CA C 39 60.100 57.530 2.570 1
1 385 . 3 1 1 A 39 39 SER CB C 39 63.900 63.607 0.293 1
1 386 . 3 1 1 A 40 40 ASP H H 40 7.670 8.503 -0.833 1
1 387 . 3 1 1 A 40 40 ASP HA H 40 4.810 4.671 0.139 1
1 390 . 3 1 1 A 40 40 ASP C C 40 175.500 177.775 -2.275 1
1 391 . 3 1 1 A 40 40 ASP CA C 40 52.900 54.087 -1.187 1
1 392 . 3 1 1 A 40 40 ASP CB C 40 41.300 41.718 -0.418 1
1 393 . 3 1 1 A 40 40 ASP N N 40 115.800 123.402 -7.602 1
1 394 . 3 1 1 A 41 41 LYS H H 41 8.260 8.706 -0.446 1
1 395 . 3 1 1 A 41 41 LYS HA H 41 3.780 3.899 -0.119 1
1 404 . 3 1 1 A 41 41 LYS C C 41 177.100 178.135 -1.035 1
1 405 . 3 1 1 A 41 41 LYS CA C 41 60.500 59.225 1.275 1
1 406 . 3 1 1 A 41 41 LYS CB C 41 33.400 31.903 1.497 1
1 410 . 3 1 1 A 41 41 LYS N N 41 120.200 123.570 -3.370 1
1 411 . 3 1 1 A 42 42 ALA H H 42 8.420 7.928 0.492 1
1 412 . 3 1 1 A 42 42 ALA HA H 42 4.180 4.157 0.023 1
1 416 . 3 1 1 A 42 42 ALA C C 42 181.900 179.733 2.167 1
1 417 . 3 1 1 A 42 42 ALA CA C 42 55.400 55.121 0.279 1
1 418 . 3 1 1 A 42 42 ALA CB C 42 17.700 18.623 -0.923 1
1 419 . 3 1 1 A 42 42 ALA N N 42 120.700 122.029 -1.329 1
1 420 . 3 1 1 A 43 43 HIS H H 43 8.490 7.927 0.563 1
1 421 . 3 1 1 A 43 43 HIS HA H 43 4.330 4.246 0.084 1
1 424 . 3 1 1 A 43 43 HIS C C 43 178.800 176.871 1.929 1
1 425 . 3 1 1 A 43 43 HIS CA C 43 59.600 59.907 -0.307 1
1 426 . 3 1 1 A 43 43 HIS CB C 43 30.300 29.528 0.772 1
1 427 . 3 1 1 A 43 43 HIS N N 43 118.000 118.067 -0.067 1
1 428 . 3 1 1 A 44 44 LEU H H 44 8.340 8.129 0.211 1
1 429 . 3 1 1 A 44 44 LEU HA H 44 3.750 3.579 0.171 1
1 439 . 3 1 1 A 44 44 LEU C C 44 178.500 179.022 -0.522 1
1 440 . 3 1 1 A 44 44 LEU CA C 44 58.200 57.753 0.447 1
1 441 . 3 1 1 A 44 44 LEU CB C 44 42.100 41.150 0.950 1
1 445 . 3 1 1 A 44 44 LEU N N 44 121.500 119.007 2.493 1
1 446 . 3 1 1 A 45 45 GLU H H 45 8.880 8.618 0.262 1
1 447 . 3 1 1 A 45 45 GLU HA H 45 3.750 4.001 -0.251 1
1 452 . 3 1 1 A 45 45 GLU C C 45 180.200 180.082 0.118 1
1 453 . 3 1 1 A 45 45 GLU CA C 45 60.000 59.443 0.557 1
1 454 . 3 1 1 A 45 45 GLU CB C 45 29.000 28.980 0.020 1
1 456 . 3 1 1 A 45 45 GLU N N 45 118.300 118.138 0.162 1
1 457 . 3 1 1 A 46 46 GLY H H 46 7.970 8.049 -0.079 1
1 458 . 3 1 1 A 46 46 GLY HA2 H 46 3.920 3.722 0.198 1
1 459 . 3 1 1 A 46 46 GLY HA3 H 46 3.920 3.739 0.181 1
1 460 . 3 1 1 A 46 46 GLY C C 46 176.500 175.720 0.780 1
1 461 . 3 1 1 A 46 46 GLY CA C 46 46.900 47.353 -0.453 1
1 462 . 3 1 1 A 46 46 GLY N N 46 108.100 109.784 -1.684 1
1 463 . 3 1 1 A 47 47 LYS H H 47 7.690 7.586 0.104 1
1 464 . 3 1 1 A 47 47 LYS HA H 47 4.320 3.985 0.335 1
1 473 . 3 1 1 A 47 47 LYS C C 47 179.400 179.334 0.066 1
1 474 . 3 1 1 A 47 47 LYS CA C 47 58.400 59.232 -0.832 1
1 475 . 3 1 1 A 47 47 LYS CB C 47 32.100 32.015 0.085 1
1 479 . 3 1 1 A 47 47 LYS N N 47 122.400 122.170 0.230 1
1 480 . 3 1 1 A 48 48 LEU H H 48 8.550 8.360 0.190 1
1 481 . 3 1 1 A 48 48 LEU HA H 48 3.980 3.925 0.055 1
1 491 . 3 1 1 A 48 48 LEU C C 48 178.300 178.344 -0.044 1
1 492 . 3 1 1 A 48 48 LEU CA C 48 57.900 57.730 0.170 1
1 493 . 3 1 1 A 48 48 LEU CB C 48 40.800 41.098 -0.298 1
1 497 . 3 1 1 A 48 48 LEU N N 48 120.600 121.567 -0.967 1
1 498 . 3 1 1 A 49 49 ALA H H 49 7.810 8.055 -0.245 1
1 499 . 3 1 1 A 49 49 ALA HA H 49 4.000 3.980 0.020 1
1 503 . 3 1 1 A 49 49 ALA C C 49 180.400 180.060 0.340 1
1 504 . 3 1 1 A 49 49 ALA CA C 49 55.600 55.511 0.089 1
1 505 . 3 1 1 A 49 49 ALA CB C 49 17.900 18.303 -0.403 1
1 506 . 3 1 1 A 49 49 ALA N N 49 120.000 120.238 -0.238 1
1 507 . 3 1 1 A 50 50 GLU H H 50 7.520 7.684 -0.164 1
1 508 . 3 1 1 A 50 50 GLU HA H 50 4.130 4.192 -0.062 1
1 513 . 3 1 1 A 50 50 GLU C C 50 179.600 179.246 0.354 1
1 514 . 3 1 1 A 50 50 GLU CA C 50 59.200 58.910 0.290 1
1 515 . 3 1 1 A 50 50 GLU CB C 50 29.800 29.500 0.300 1
1 517 . 3 1 1 A 50 50 GLU N N 50 117.300 119.104 -1.804 1
1 518 . 3 1 1 A 51 51 TYR H H 51 7.860 8.093 -0.233 1
1 519 . 3 1 1 A 51 51 TYR HA H 51 3.900 4.314 -0.414 1
1 526 . 3 1 1 A 51 51 TYR C C 51 177.900 178.401 -0.501 1
1 527 . 3 1 1 A 51 51 TYR CA C 51 62.400 60.943 1.457 1
1 528 . 3 1 1 A 51 51 TYR CB C 51 38.200 38.168 0.032 1
1 533 . 3 1 1 A 51 51 TYR N N 51 120.300 119.612 0.688 1
1 534 . 3 1 1 A 52 52 ILE H H 52 8.590 8.593 -0.003 1
1 535 . 3 1 1 A 52 52 ILE HA H 52 3.420 3.629 -0.209 1
1 545 . 3 1 1 A 52 52 ILE C C 52 177.400 177.913 -0.513 1
1 546 . 3 1 1 A 52 52 ILE CA C 52 66.200 65.219 0.981 1
1 547 . 3 1 1 A 52 52 ILE CB C 52 38.200 38.056 0.144 1
1 551 . 3 1 1 A 52 52 ILE N N 52 120.100 120.761 -0.661 1
1 552 . 3 1 1 A 53 53 SER H H 53 7.860 8.288 -0.428 1
1 553 . 3 1 1 A 53 53 SER HA H 53 4.080 4.226 -0.146 1
1 556 . 3 1 1 A 53 53 SER C C 53 177.700 177.987 -0.287 1
1 557 . 3 1 1 A 53 53 SER CA C 53 61.800 61.862 -0.062 1
1 558 . 3 1 1 A 53 53 SER CB C 53 62.600 62.299 0.301 1
1 559 . 3 1 1 A 53 53 SER N N 53 113.100 115.249 -2.149 1
1 560 . 3 1 1 A 54 54 LEU H H 54 7.610 7.973 -0.363 1
1 561 . 3 1 1 A 54 54 LEU HA H 54 4.090 4.130 -0.040 1
1 571 . 3 1 1 A 54 54 LEU C C 54 178.600 179.099 -0.499 1
1 572 . 3 1 1 A 54 54 LEU CA C 54 58.000 57.593 0.407 1
1 573 . 3 1 1 A 54 54 LEU CB C 54 42.200 41.553 0.647 1
1 577 . 3 1 1 A 54 54 LEU N N 54 121.200 122.813 -1.613 1
1 578 . 3 1 1 A 55 55 ALA H H 55 8.640 8.192 0.448 1
1 579 . 3 1 1 A 55 55 ALA HA H 55 3.860 3.885 -0.025 1
1 583 . 3 1 1 A 55 55 ALA C C 55 179.100 179.491 -0.391 1
1 584 . 3 1 1 A 55 55 ALA CA C 55 56.200 55.527 0.673 1
1 585 . 3 1 1 A 55 55 ALA CB C 55 19.000 17.606 1.394 1
1 586 . 3 1 1 A 55 55 ALA N N 55 121.900 121.763 0.137 1
1 587 . 3 1 1 A 56 56 LYS H H 56 8.120 8.120 0.000 1
1 588 . 3 1 1 A 56 56 LYS HA H 56 4.220 4.137 0.083 1
1 597 . 3 1 1 A 56 56 LYS C C 56 178.800 178.963 -0.163 1
1 598 . 3 1 1 A 56 56 LYS CA C 56 58.300 59.509 -1.209 1
1 599 . 3 1 1 A 56 56 LYS CB C 56 32.900 32.235 0.665 1
1 603 . 3 1 1 A 56 56 LYS N N 56 115.600 117.533 -1.933 1
1 604 . 3 1 1 A 57 57 GLN H H 57 7.590 8.024 -0.434 1
1 605 . 3 1 1 A 57 57 GLN HA H 57 4.010 4.146 -0.136 1
1 612 . 3 1 1 A 57 57 GLN C C 57 178.300 178.543 -0.243 1
1 613 . 3 1 1 A 57 57 GLN CA C 57 58.400 58.782 -0.382 1
1 614 . 3 1 1 A 57 57 GLN CB C 57 28.600 28.325 0.275 1
1 617 . 3 1 1 A 57 57 GLN N N 57 117.900 119.597 -1.697 1
1 619 . 3 1 1 A 58 58 VAL H H 58 7.650 8.081 -0.431 1
1 620 . 3 1 1 A 58 58 VAL HA H 58 3.750 3.743 0.007 1
1 628 . 3 1 1 A 58 58 VAL C C 58 176.400 176.036 0.364 1
1 629 . 3 1 1 A 58 58 VAL CA C 58 65.500 65.956 -0.456 1
1 630 . 3 1 1 A 58 58 VAL CB C 58 32.000 32.292 -0.292 1
1 633 . 3 1 1 A 58 58 VAL N N 58 120.200 120.244 -0.044 1
1 634 . 3 1 1 A 59 59 TYR H H 59 8.700 8.226 0.474 1
1 635 . 3 1 1 A 59 59 TYR HA H 59 5.040 4.878 0.162 1
1 642 . 3 1 1 A 59 59 TYR C C 59 174.100 174.024 0.076 1
1 643 . 3 1 1 A 59 59 TYR CA C 59 55.500 56.543 -1.043 1
1 644 . 3 1 1 A 59 59 TYR CB C 59 40.500 41.830 -1.330 1
1 649 . 3 1 1 A 59 59 TYR N N 59 120.400 120.255 0.145 1
1 650 . 3 1 1 A 60 60 ALA H H 60 8.900 8.171 0.729 1
1 651 . 3 1 1 A 60 60 ALA HA H 60 4.230 4.109 0.121 1
1 655 . 3 1 1 A 60 60 ALA CA C 60 55.400 52.528 2.872 1
1 656 . 3 1 1 A 60 60 ALA CB C 60 18.100 19.019 -0.919 1
1 657 . 3 1 1 A 60 60 ALA N N 60 131.000 129.013 1.987 1
1 658 . 3 1 1 A 61 61 ASN H H 61 5.430 9.089 -3.659 1
1 659 . 3 1 1 A 61 61 ASN HA H 61 4.760 4.371 0.389 1
1 664 . 3 1 1 A 61 61 ASN C C 61 173.200 175.245 -2.045 1
1 665 . 3 1 1 A 61 61 ASN CA C 61 51.800 54.035 -2.235 1
1 666 . 3 1 1 A 61 61 ASN CB C 61 37.600 37.362 0.238 1
1 668 . 3 1 1 A 61 61 ASN N N 61 111.100 118.884 -7.784 1
1 670 . 3 1 1 A 62 62 VAL H H 62 6.870 7.972 -1.102 1
1 671 . 3 1 1 A 62 62 VAL HA H 62 3.730 4.308 -0.578 1
1 679 . 3 1 1 A 62 62 VAL C C 62 172.400 175.603 -3.203 1
1 680 . 3 1 1 A 62 62 VAL CA C 62 62.500 62.409 0.091 1
1 681 . 3 1 1 A 62 62 VAL CB C 62 31.300 32.640 -1.340 1
1 684 . 3 1 1 A 62 62 VAL N N 62 120.400 119.561 0.839 1
1 685 . 3 1 1 A 63 63 GLU H H 63 7.360 8.509 -1.149 1
1 686 . 3 1 1 A 63 63 GLU HA H 63 4.590 4.793 -0.203 1
1 691 . 3 1 1 A 63 63 GLU C C 63 174.500 175.790 -1.290 1
1 692 . 3 1 1 A 63 63 GLU CA C 63 54.000 55.434 -1.434 1
1 693 . 3 1 1 A 63 63 GLU CB C 63 32.700 31.660 1.040 1
1 695 . 3 1 1 A 63 63 GLU N N 63 126.500 127.066 -0.566 1
1 696 . 3 1 1 A 64 64 TYR H H 64 8.300 8.207 0.093 1
1 697 . 3 1 1 A 64 64 TYR HA H 64 5.400 5.071 0.329 1
1 704 . 3 1 1 A 64 64 TYR C C 64 173.400 173.003 0.397 1
1 705 . 3 1 1 A 64 64 TYR CA C 64 54.800 55.876 -1.076 1
1 706 . 3 1 1 A 64 64 TYR CB C 64 41.800 41.134 0.666 1
1 711 . 3 1 1 A 64 64 TYR N N 64 118.800 118.808 -0.008 1
1 712 . 3 1 1 A 65 65 GLU H H 65 8.470 8.436 0.034 1
1 713 . 3 1 1 A 65 65 GLU HA H 65 4.440 5.029 -0.589 1
1 718 . 3 1 1 A 65 65 GLU C C 65 173.800 173.820 -0.020 1
1 719 . 3 1 1 A 65 65 GLU CA C 65 54.600 54.839 -0.239 1
1 720 . 3 1 1 A 65 65 GLU CB C 65 35.000 33.959 1.041 1
1 722 . 3 1 1 A 65 65 GLU N N 65 121.300 118.721 2.579 1
1 723 . 3 1 1 A 66 66 VAL H H 66 8.780 8.931 -0.151 1
1 724 . 3 1 1 A 66 66 VAL HA H 66 4.600 4.937 -0.337 1
1 732 . 3 1 1 A 66 66 VAL C C 66 175.900 174.677 1.223 1
1 733 . 3 1 1 A 66 66 VAL CA C 66 60.800 59.658 1.142 1
1 734 . 3 1 1 A 66 66 VAL CB C 66 33.800 34.456 -0.656 1
1 737 . 3 1 1 A 66 66 VAL N N 66 126.000 120.123 5.877 1
1 738 . 3 1 1 A 67 67 ALA H H 67 8.400 8.661 -0.261 1
1 739 . 3 1 1 A 67 67 ALA HA H 67 4.390 4.611 -0.221 1
1 743 . 3 1 1 A 67 67 ALA CA C 67 51.100 50.947 0.153 1
1 744 . 3 1 1 A 67 67 ALA CB C 67 16.800 18.162 -1.362 1
1 745 . 3 1 1 A 67 67 ALA N N 67 132.400 131.372 1.028 1
1 746 . 3 1 1 A 68 68 PRO HA H 68 4.260 4.562 -0.302 1
1 753 . 3 1 1 A 68 68 PRO C C 68 176.400 175.915 0.485 1
1 754 . 3 1 1 A 68 68 PRO CA C 68 63.800 63.103 0.697 1
1 755 . 3 1 1 A 68 68 PRO CB C 68 31.800 31.819 -0.019 1
1 758 . 3 1 1 A 69 69 VAL H H 69 8.240 8.590 -0.350 1
1 759 . 3 1 1 A 69 69 VAL HA H 69 4.360 4.621 -0.261 1
1 767 . 3 1 1 A 69 69 VAL C C 69 175.500 175.244 0.256 1
1 768 . 3 1 1 A 69 69 VAL CA C 69 60.500 60.693 -0.193 1
1 769 . 3 1 1 A 69 69 VAL CB C 69 34.200 35.322 -1.122 1
1 772 . 3 1 1 A 69 69 VAL N N 69 121.600 124.429 -2.829 1
1 773 . 3 1 1 A 70 70 ALA H H 70 8.630 8.812 -0.182 1
1 774 . 3 1 1 A 70 70 ALA HA H 70 4.370 4.380 -0.010 1
1 778 . 3 1 1 A 70 70 ALA C C 70 178.100 178.213 -0.113 1
1 779 . 3 1 1 A 70 70 ALA CA C 70 51.700 52.284 -0.584 1
1 780 . 3 1 1 A 70 70 ALA CB C 70 19.700 19.208 0.492 1
1 781 . 3 1 1 A 70 70 ALA N N 70 128.800 129.866 -1.066 1
1 782 . 3 1 1 A 71 71 ASP H H 71 8.640 9.047 -0.407 1
1 783 . 3 1 1 A 71 71 ASP HA H 71 4.330 4.295 0.035 1
1 786 . 3 1 1 A 71 71 ASP C C 71 177.000 176.876 0.124 1
1 787 . 3 1 1 A 71 71 ASP CA C 71 57.300 56.453 0.847 1
1 788 . 3 1 1 A 71 71 ASP CB C 71 40.300 39.973 0.327 1
1 789 . 3 1 1 A 71 71 ASP N N 71 118.900 121.869 -2.969 1
1 790 . 3 1 1 A 72 72 ASN H H 72 8.100 7.638 0.462 1
1 791 . 3 1 1 A 72 72 ASN HA H 72 4.810 4.819 -0.009 1
1 796 . 3 1 1 A 72 72 ASN C C 72 175.300 175.089 0.211 1
1 797 . 3 1 1 A 72 72 ASN CA C 72 51.900 53.433 -1.533 1
1 798 . 3 1 1 A 72 72 ASN CB C 72 37.400 39.042 -1.642 1
1 800 . 3 1 1 A 72 72 ASN N N 72 114.800 115.625 -0.825 1
1 802 . 3 1 1 A 73 73 ALA H H 73 7.580 7.301 0.279 1
1 803 . 3 1 1 A 73 73 ALA HA H 73 4.230 4.274 -0.044 1
1 807 . 3 1 1 A 73 73 ALA C C 73 176.300 178.753 -2.453 1
1 808 . 3 1 1 A 73 73 ALA CA C 73 53.200 52.716 0.484 1
1 809 . 3 1 1 A 73 73 ALA CB C 73 21.000 19.364 1.636 1
1 810 . 3 1 1 A 73 73 ALA N N 73 123.400 123.089 0.311 1
1 811 . 3 1 1 A 74 74 THR H H 74 8.220 8.873 -0.653 1
1 812 . 3 1 1 A 74 74 THR HA H 74 4.560 4.595 -0.035 1
1 817 . 3 1 1 A 74 74 THR C C 74 174.100 173.279 0.821 1
1 818 . 3 1 1 A 74 74 THR CA C 74 60.200 61.658 -1.458 1
1 819 . 3 1 1 A 74 74 THR CB C 74 69.900 69.227 0.673 1
1 821 . 3 1 1 A 74 74 THR N N 74 104.600 111.937 -7.337 1
1 822 . 3 1 1 A 75 75 GLU H H 75 7.310 7.966 -0.656 1
1 823 . 3 1 1 A 75 75 GLU HA H 75 5.190 5.008 0.182 1
1 828 . 3 1 1 A 75 75 GLU C C 75 173.600 173.834 -0.234 1
1 829 . 3 1 1 A 75 75 GLU CA C 75 54.100 54.865 -0.765 1
1 830 . 3 1 1 A 75 75 GLU CB C 75 34.100 33.023 1.077 1
1 832 . 3 1 1 A 75 75 GLU N N 75 119.100 119.556 -0.456 1
1 833 . 3 1 1 A 76 76 LEU H H 76 8.400 8.734 -0.334 1
1 834 . 3 1 1 A 76 76 LEU HA H 76 4.650 5.182 -0.532 1
1 844 . 3 1 1 A 76 76 LEU C C 76 174.100 173.935 0.165 1
1 845 . 3 1 1 A 76 76 LEU CA C 76 54.200 53.147 1.053 1
1 846 . 3 1 1 A 76 76 LEU CB C 76 47.400 46.101 1.299 1
1 850 . 3 1 1 A 76 76 LEU N N 76 122.600 123.267 -0.667 1
1 851 . 3 1 1 A 77 77 HIS H H 77 9.340 8.862 0.478 1
1 852 . 3 1 1 A 77 77 HIS HA H 77 5.440 5.248 0.192 1
1 855 . 3 1 1 A 77 77 HIS C C 77 172.700 174.724 -2.024 1
1 856 . 3 1 1 A 77 77 HIS CA C 77 54.400 54.772 -0.372 1
1 857 . 3 1 1 A 77 77 HIS CB C 77 31.700 31.849 -0.149 1
1 858 . 3 1 1 A 77 77 HIS N N 77 123.500 124.539 -1.039 1
1 859 . 3 1 1 A 78 78 ALA H H 78 9.190 8.620 0.570 1
1 860 . 3 1 1 A 78 78 ALA HA H 78 5.620 4.918 0.702 1
1 864 . 3 1 1 A 78 78 ALA C C 78 175.600 175.376 0.224 1
1 865 . 3 1 1 A 78 78 ALA CA C 78 50.300 51.306 -1.006 1
1 866 . 3 1 1 A 78 78 ALA CB C 78 24.100 24.006 0.094 1
1 867 . 3 1 1 A 78 78 ALA N N 78 124.800 122.882 1.918 1
1 868 . 3 1 1 A 79 79 ARG H H 79 8.680 8.193 0.487 1
1 869 . 3 1 1 A 79 79 ARG HA H 79 5.230 5.510 -0.280 1
1 874 . 3 1 1 A 79 79 ARG C C 79 173.900 174.954 -1.054 1
1 875 . 3 1 1 A 79 79 ARG CA C 79 55.300 54.546 0.754 1
1 876 . 3 1 1 A 79 79 ARG CB C 79 34.400 34.255 0.145 1
1 879 . 3 1 1 A 79 79 ARG N N 79 119.100 119.292 -0.192 1
1 880 . 3 1 1 A 80 80 PHE H H 80 8.970 8.999 -0.029 1
1 881 . 3 1 1 A 80 80 PHE HA H 80 4.720 5.025 -0.305 1
1 889 . 3 1 1 A 80 80 PHE C C 80 172.700 174.984 -2.284 1
1 890 . 3 1 1 A 80 80 PHE CA C 80 56.300 56.189 0.111 1
1 891 . 3 1 1 A 80 80 PHE CB C 80 42.600 43.512 -0.912 1
1 897 . 3 1 1 A 80 80 PHE N N 80 119.200 120.438 -1.238 1
1 898 . 3 1 1 A 81 81 LYS H H 81 9.350 8.234 1.116 1
1 899 . 3 1 1 A 81 81 LYS HA H 81 4.800 5.252 -0.452 1
1 908 . 3 1 1 A 81 81 LYS C C 81 174.500 175.002 -0.502 1
1 909 . 3 1 1 A 81 81 LYS CA C 81 55.600 54.290 1.310 1
1 910 . 3 1 1 A 81 81 LYS CB C 81 35.200 35.408 -0.208 1
1 914 . 3 1 1 A 81 81 LYS N N 81 124.500 119.877 4.623 1
1 915 . 3 1 1 A 82 82 PHE H H 82 8.840 8.353 0.487 1
1 916 . 3 1 1 A 82 82 PHE HA H 82 4.550 4.384 0.166 1
1 924 . 3 1 1 A 82 82 PHE C C 82 173.200 175.520 -2.320 1
1 925 . 3 1 1 A 82 82 PHE CA C 82 57.800 56.185 1.615 1
1 926 . 3 1 1 A 82 82 PHE CB C 82 40.100 43.504 -3.404 1
1 932 . 3 1 1 A 82 82 PHE N N 82 127.900 121.524 6.376 1
1 933 . 3 1 1 A 83 83 GLU H H 83 7.590 8.489 -0.899 1
1 934 . 3 1 1 A 83 83 GLU HA H 83 4.120 4.118 0.002 1
1 939 . 3 1 1 A 83 83 GLU C C 83 177.500 176.172 1.328 1
1 940 . 3 1 1 A 83 83 GLU CA C 83 58.900 58.794 0.106 1
1 941 . 3 1 1 A 83 83 GLU CB C 83 29.900 30.281 -0.381 1
1 943 . 3 1 1 A 83 83 GLU N N 83 119.400 121.638 -2.238 1
1 944 . 3 1 1 A 84 84 VAL H H 84 7.470 7.695 -0.225 1
1 945 . 3 1 1 A 84 84 VAL HA H 84 4.770 4.576 0.194 1
1 953 . 3 1 1 A 84 84 VAL C C 84 177.100 175.919 1.181 1
1 954 . 3 1 1 A 84 84 VAL CA C 84 58.500 58.854 -0.354 1
1 955 . 3 1 1 A 84 84 VAL CB C 84 36.000 35.311 0.689 1
1 958 . 3 1 1 A 84 84 VAL N N 84 108.000 114.139 -6.139 1
1 959 . 3 1 1 A 85 85 SER H H 85 8.980 9.028 -0.048 1
1 960 . 3 1 1 A 85 85 SER HA H 85 4.160 4.102 0.058 1
1 963 . 3 1 1 A 85 85 SER C C 85 176.900 176.547 0.353 1
1 964 . 3 1 1 A 85 85 SER CA C 85 61.200 61.547 -0.347 1
1 965 . 3 1 1 A 85 85 SER CB C 85 62.600 62.488 0.112 1
1 966 . 3 1 1 A 85 85 SER N N 85 120.300 119.141 1.159 1
1 967 . 3 1 1 A 86 86 ALA H H 86 8.370 8.264 0.106 1
1 968 . 3 1 1 A 86 86 ALA HA H 86 4.000 4.011 -0.011 1
1 972 . 3 1 1 A 86 86 ALA C C 86 180.500 180.074 0.426 1
1 973 . 3 1 1 A 86 86 ALA CA C 86 55.600 55.462 0.138 1
1 974 . 3 1 1 A 86 86 ALA CB C 86 18.500 18.548 -0.048 1
1 975 . 3 1 1 A 86 86 ALA N N 86 121.800 122.822 -1.022 1
1 976 . 3 1 1 A 87 87 GLU H H 87 6.920 7.603 -0.683 1
1 977 . 3 1 1 A 87 87 GLU HA H 87 3.640 3.833 -0.193 1
1 982 . 3 1 1 A 87 87 GLU C C 87 176.700 178.826 -2.126 1
1 983 . 3 1 1 A 87 87 GLU CA C 87 58.000 59.254 -1.254 1
1 984 . 3 1 1 A 87 87 GLU CB C 87 29.300 28.988 0.312 1
1 986 . 3 1 1 A 87 87 GLU N N 87 114.800 117.867 -3.067 1
1 987 . 3 1 1 A 88 88 LYS H H 88 6.520 8.280 -1.760 1
1 988 . 3 1 1 A 88 88 LYS HA H 88 3.140 4.038 -0.898 1
1 997 . 3 1 1 A 88 88 LYS C C 88 178.100 178.784 -0.684 1
1 998 . 3 1 1 A 88 88 LYS CA C 88 59.700 59.224 0.476 1
1 999 . 3 1 1 A 88 88 LYS CB C 88 32.300 32.252 0.048 1
1 1003 . 3 1 1 A 88 88 LYS N N 88 119.900 121.483 -1.583 1
1 1004 . 3 1 1 A 89 89 LEU H H 89 7.920 7.541 0.379 1
1 1005 . 3 1 1 A 89 89 LEU HA H 89 4.080 4.011 0.069 1
1 1015 . 3 1 1 A 89 89 LEU C C 89 179.900 178.292 1.608 1
1 1016 . 3 1 1 A 89 89 LEU CA C 89 58.000 58.324 -0.324 1
1 1017 . 3 1 1 A 89 89 LEU CB C 89 41.500 41.748 -0.248 1
1 1021 . 3 1 1 A 89 89 LEU N N 89 118.200 120.495 -2.295 1
1 1022 . 3 1 1 A 90 90 ILE H H 90 7.570 7.702 -0.132 1
1 1023 . 3 1 1 A 90 90 ILE HA H 90 3.710 3.619 0.091 1
1 1033 . 3 1 1 A 90 90 ILE C C 90 178.000 178.314 -0.314 1
1 1034 . 3 1 1 A 90 90 ILE CA C 90 64.700 65.003 -0.303 1
1 1035 . 3 1 1 A 90 90 ILE CB C 90 37.600 37.628 -0.028 1
1 1039 . 3 1 1 A 90 90 ILE N N 90 120.400 119.446 0.954 1
1 1040 . 3 1 1 A 91 91 PHE H H 91 8.180 8.847 -0.667 1
1 1041 . 3 1 1 A 91 91 PHE HA H 91 3.920 3.894 0.026 1
1 1049 . 3 1 1 A 91 91 PHE C C 91 177.200 177.403 -0.203 1
1 1050 . 3 1 1 A 91 91 PHE CA C 91 61.600 61.372 0.228 1
1 1051 . 3 1 1 A 91 91 PHE CB C 91 39.600 39.249 0.351 1
1 1057 . 3 1 1 A 91 91 PHE N N 91 120.100 119.972 0.128 1
1 1058 . 3 1 1 A 92 92 GLU H H 92 8.470 8.642 -0.172 1
1 1059 . 3 1 1 A 92 92 GLU HA H 92 3.620 3.964 -0.344 1
1 1064 . 3 1 1 A 92 92 GLU C C 92 179.100 179.402 -0.302 1
1 1065 . 3 1 1 A 92 92 GLU CA C 92 60.100 59.287 0.813 1
1 1066 . 3 1 1 A 92 92 GLU CB C 92 29.300 29.493 -0.193 1
1 1068 . 3 1 1 A 92 92 GLU N N 92 118.800 119.431 -0.631 1
1 1069 . 3 1 1 A 93 93 LEU H H 93 7.980 8.257 -0.277 1
1 1070 . 3 1 1 A 93 93 LEU HA H 93 4.000 3.933 0.067 1
1 1080 . 3 1 1 A 93 93 LEU C C 93 180.600 179.207 1.393 1
1 1081 . 3 1 1 A 93 93 LEU CA C 93 58.300 57.912 0.388 1
1 1082 . 3 1 1 A 93 93 LEU CB C 93 41.700 41.132 0.568 1
1 1086 . 3 1 1 A 93 93 LEU N N 93 120.800 120.154 0.646 1
1 1087 . 3 1 1 A 94 94 LYS H H 94 8.340 7.669 0.671 1
1 1088 . 3 1 1 A 94 94 LYS HA H 94 3.990 3.819 0.171 1
1 1097 . 3 1 1 A 94 94 LYS C C 94 179.600 179.148 0.452 1
1 1098 . 3 1 1 A 94 94 LYS CA C 94 59.200 59.228 -0.028 1
1 1099 . 3 1 1 A 94 94 LYS CB C 94 33.100 32.044 1.056 1
1 1103 . 3 1 1 A 94 94 LYS N N 94 119.300 118.153 1.147 1
1 1104 . 3 1 1 A 95 95 THR H H 95 8.100 7.706 0.394 1
1 1105 . 3 1 1 A 95 95 THR HA H 95 3.640 3.232 0.408 1
1 1110 . 3 1 1 A 95 95 THR C C 95 176.800 176.503 0.297 1
1 1111 . 3 1 1 A 95 95 THR CA C 95 63.800 65.197 -1.397 1
1 1112 . 3 1 1 A 95 95 THR CB C 95 68.900 67.618 1.282 1
1 1114 . 3 1 1 A 95 95 THR N N 95 109.700 111.995 -2.295 1
1 1115 . 3 1 1 A 96 96 ARG H H 96 7.570 8.069 -0.499 1
1 1116 . 3 1 1 A 96 96 ARG HA H 96 4.060 4.061 -0.001 1
1 1124 . 3 1 1 A 96 96 ARG C C 96 178.300 178.079 0.221 1
1 1125 . 3 1 1 A 96 96 ARG CA C 96 59.500 59.536 -0.036 1
1 1126 . 3 1 1 A 96 96 ARG CB C 96 29.800 29.600 0.200 1
1 1130 . 3 1 1 A 96 96 ARG N N 96 123.200 122.412 0.788 1
1 1132 . 3 1 1 A 97 97 ALA H H 97 7.520 7.998 -0.478 1
1 1133 . 3 1 1 A 97 97 ALA HA H 97 4.130 4.027 0.103 1
1 1137 . 3 1 1 A 97 97 ALA C C 97 179.500 180.098 -0.598 1
1 1138 . 3 1 1 A 97 97 ALA CA C 97 54.100 55.447 -1.347 1
1 1139 . 3 1 1 A 97 97 ALA CB C 97 18.200 17.972 0.228 1
1 1140 . 3 1 1 A 97 97 ALA N N 97 119.700 122.964 -3.264 1
1 1141 . 3 1 1 A 98 98 LEU H H 98 7.370 7.572 -0.202 1
1 1142 . 3 1 1 A 98 98 LEU HA H 98 4.070 3.952 0.118 1
1 1152 . 3 1 1 A 98 98 LEU C C 98 178.800 179.029 -0.229 1
1 1153 . 3 1 1 A 98 98 LEU CA C 98 56.500 57.543 -1.043 1
1 1154 . 3 1 1 A 98 98 LEU CB C 98 41.700 41.393 0.307 1
1 1158 . 3 1 1 A 98 98 LEU N N 98 118.300 118.482 -0.182 1
1 1159 . 3 1 1 A 99 99 ALA H H 99 7.940 8.003 -0.063 1
1 1160 . 3 1 1 A 99 99 ALA HA H 99 4.250 4.177 0.073 1
1 1164 . 3 1 1 A 99 99 ALA C C 99 179.100 179.133 -0.033 1
1 1165 . 3 1 1 A 99 99 ALA CA C 99 53.600 55.011 -1.411 1
1 1166 . 3 1 1 A 99 99 ALA CB C 99 18.600 18.360 0.240 1
1 1167 . 3 1 1 A 99 99 ALA N N 99 122.100 121.982 0.118 1
1 1168 . 3 1 1 A 100 100 ARG H H 100 7.840 7.762 0.078 1
1 1169 . 3 1 1 A 100 100 ARG HA H 100 4.210 4.394 -0.184 1
1 1176 . 3 1 1 A 100 100 ARG C C 100 177.100 177.455 -0.355 1
1 1177 . 3 1 1 A 100 100 ARG CA C 100 57.100 56.671 0.429 1
1 1178 . 3 1 1 A 100 100 ARG CB C 100 30.300 30.119 0.181 1
1 1181 . 3 1 1 A 100 100 ARG N N 100 117.900 115.537 2.363 1
1 1182 . 3 1 1 A 101 101 LEU H H 101 7.890 7.818 0.072 1
1 1183 . 3 1 1 A 101 101 LEU HA H 101 4.240 4.106 0.134 1
1 1193 . 3 1 1 A 101 101 LEU C C 101 177.800 176.487 1.313 1
1 1194 . 3 1 1 A 101 101 LEU CA C 101 55.700 57.814 -2.114 1
1 1195 . 3 1 1 A 101 101 LEU CB C 101 41.900 41.804 0.096 1
1 1199 . 3 1 1 A 101 101 LEU N N 101 120.800 120.765 0.035 1
1 1200 . 3 1 1 A 102 102 GLU H H 102 8.040 7.887 0.153 1
1 1201 . 3 1 1 A 102 102 GLU HA H 102 4.240 4.562 -0.322 1
1 1206 . 3 1 1 A 102 102 GLU C C 102 176.500 175.435 1.065 1
1 1207 . 3 1 1 A 102 102 GLU CA C 102 56.600 55.538 1.062 1
1 1208 . 3 1 1 A 102 102 GLU CB C 102 30.000 30.537 -0.537 1
1 1210 . 3 1 1 A 102 102 GLU N N 102 120.100 118.140 1.960 1
1 1211 . 3 1 1 A 103 103 HIS H H 103 8.200 8.864 -0.664 1
1 1212 . 3 1 1 A 103 103 HIS HA H 103 4.540 4.920 -0.380 1
1 1216 . 3 1 1 A 103 103 HIS CA C 103 56.100 53.853 2.247 1
1 1217 . 3 1 1 A 103 103 HIS CB C 103 29.900 29.035 0.865 1
1 1218 . 3 1 1 A 103 103 HIS N N 103 119.200 124.850 -5.650 1
1 1219 . 3 1 1 A 107 107 HIS HA H 107 4.560 4.101 0.459 1
1 1222 . 3 1 1 A 107 107 HIS C C 107 173.800 175.351 -1.551 1
1 1223 . 3 1 1 A 107 107 HIS CA C 107 55.800 60.243 -4.443 1
1 1224 . 3 1 1 A 107 107 HIS CB C 107 29.900 30.354 -0.454 1
1 1 . 4 1 1 A 4 4 GLN HA H 4 4.360 4.540 -0.180 1
1 7 . 4 1 1 A 4 4 GLN C C 4 176.100 174.249 1.851 1
1 8 . 4 1 1 A 4 4 GLN CA C 4 56.000 55.707 0.293 1
1 9 . 4 1 1 A 4 4 GLN CB C 4 29.300 29.611 -0.311 1
1 11 . 4 1 1 A 5 5 THR H H 5 8.280 8.730 -0.450 1
1 12 . 4 1 1 A 5 5 THR HA H 5 4.320 4.324 -0.004 1
1 17 . 4 1 1 A 5 5 THR C C 5 174.300 173.983 0.317 1
1 18 . 4 1 1 A 5 5 THR CA C 5 62.200 63.672 -1.472 1
1 19 . 4 1 1 A 5 5 THR CB C 5 69.600 69.366 0.234 1
1 21 . 4 1 1 A 5 5 THR N N 5 115.700 120.768 -5.068 1
1 22 . 4 1 1 A 6 6 CYS H H 6 8.410 8.794 -0.384 1
1 23 . 4 1 1 A 6 6 CYS HA H 6 4.540 4.907 -0.367 1
1 26 . 4 1 1 A 6 6 CYS C C 6 174.400 174.797 -0.397 1
1 27 . 4 1 1 A 6 6 CYS CA C 6 58.200 57.663 0.537 1
1 28 . 4 1 1 A 6 6 CYS CB C 6 27.800 28.736 -0.936 1
1 29 . 4 1 1 A 6 6 CYS N N 6 121.900 125.060 -3.160 1
1 30 . 4 1 1 A 7 7 VAL H H 7 8.290 8.866 -0.576 1
1 31 . 4 1 1 A 7 7 VAL HA H 7 4.090 4.292 -0.202 1
1 39 . 4 1 1 A 7 7 VAL C C 7 176.100 175.217 0.883 1
1 40 . 4 1 1 A 7 7 VAL CA C 7 62.400 63.015 -0.615 1
1 41 . 4 1 1 A 7 7 VAL CB C 7 32.500 35.334 -2.834 1
1 44 . 4 1 1 A 7 7 VAL N N 7 122.700 124.973 -2.273 1
1 45 . 4 1 1 A 8 8 GLU H H 8 8.510 7.789 0.721 1
1 46 . 4 1 1 A 8 8 GLU HA H 8 4.240 4.573 -0.333 1
1 51 . 4 1 1 A 8 8 GLU C C 8 176.100 176.164 -0.064 1
1 52 . 4 1 1 A 8 8 GLU CA C 8 56.900 56.122 0.778 1
1 53 . 4 1 1 A 8 8 GLU CB C 8 30.100 31.803 -1.703 1
1 55 . 4 1 1 A 8 8 GLU N N 8 124.300 121.123 3.177 1
1 56 . 4 1 1 A 9 9 ASN H H 9 8.390 8.654 -0.264 1
1 57 . 4 1 1 A 9 9 ASN HA H 9 4.650 4.529 0.121 1
1 62 . 4 1 1 A 9 9 ASN C C 9 174.900 176.371 -1.471 1
1 63 . 4 1 1 A 9 9 ASN CA C 9 53.400 56.015 -2.615 1
1 64 . 4 1 1 A 9 9 ASN CB C 9 39.000 38.463 0.537 1
1 66 . 4 1 1 A 9 9 ASN N N 9 119.300 123.205 -3.905 1
1 68 . 4 1 1 A 10 10 GLU H H 10 8.330 7.728 0.602 1
1 69 . 4 1 1 A 10 10 GLU HA H 10 4.250 3.883 0.367 1
1 74 . 4 1 1 A 10 10 GLU C C 10 176.400 177.246 -0.846 1
1 75 . 4 1 1 A 10 10 GLU CA C 10 56.800 57.389 -0.589 1
1 76 . 4 1 1 A 10 10 GLU CB C 10 30.200 29.754 0.446 1
1 78 . 4 1 1 A 10 10 GLU N N 10 121.400 119.996 1.404 1
1 79 . 4 1 1 A 11 11 VAL H H 11 8.250 8.527 -0.277 1
1 80 . 4 1 1 A 11 11 VAL HA H 11 4.090 3.679 0.411 1
1 88 . 4 1 1 A 11 11 VAL C C 11 176.100 174.503 1.597 1
1 89 . 4 1 1 A 11 11 VAL CA C 11 62.400 62.513 -0.113 1
1 90 . 4 1 1 A 11 11 VAL CB C 11 32.500 30.462 2.038 1
1 93 . 4 1 1 A 11 11 VAL N N 11 121.900 119.295 2.605 1
1 94 . 4 1 1 A 12 12 CYS H H 12 8.450 8.044 0.406 1
1 95 . 4 1 1 A 12 12 CYS HA H 12 4.500 4.702 -0.202 1
1 98 . 4 1 1 A 12 12 CYS C C 12 174.400 175.167 -0.767 1
1 99 . 4 1 1 A 12 12 CYS CA C 12 58.300 57.197 1.103 1
1 100 . 4 1 1 A 12 12 CYS CB C 12 28.000 30.324 -2.324 1
1 101 . 4 1 1 A 12 12 CYS N N 12 123.800 120.078 3.722 1
1 102 . 4 1 1 A 13 13 GLU H H 13 8.560 8.723 -0.163 1
1 103 . 4 1 1 A 13 13 GLU HA H 13 4.260 4.314 -0.054 1
1 108 . 4 1 1 A 13 13 GLU C C 13 176.100 177.405 -1.305 1
1 109 . 4 1 1 A 13 13 GLU CA C 13 56.700 57.998 -1.298 1
1 110 . 4 1 1 A 13 13 GLU CB C 13 30.200 29.394 0.806 1
1 112 . 4 1 1 A 13 13 GLU N N 13 124.100 124.154 -0.054 1
1 113 . 4 1 1 A 14 14 ALA H H 14 8.400 7.841 0.559 1
1 114 . 4 1 1 A 14 14 ALA HA H 14 4.350 4.216 0.134 1
1 118 . 4 1 1 A 14 14 ALA C C 14 177.700 178.932 -1.232 1
1 119 . 4 1 1 A 14 14 ALA CA C 14 52.600 53.462 -0.862 1
1 120 . 4 1 1 A 14 14 ALA CB C 14 19.100 18.311 0.789 1
1 121 . 4 1 1 A 14 14 ALA N N 14 125.400 121.662 3.738 1
1 122 . 4 1 1 A 15 15 CYS H H 15 8.370 7.382 0.988 1
1 123 . 4 1 1 A 15 15 CYS HA H 15 4.490 4.324 0.166 1
1 126 . 4 1 1 A 15 15 CYS C C 15 175.100 175.682 -0.582 1
1 127 . 4 1 1 A 15 15 CYS CA C 15 58.400 59.885 -1.485 1
1 128 . 4 1 1 A 15 15 CYS CB C 15 28.000 27.705 0.295 1
1 129 . 4 1 1 A 15 15 CYS N N 15 118.500 115.925 2.575 1
1 130 . 4 1 1 A 16 16 GLY H H 16 8.480 7.399 1.081 1
1 131 . 4 1 1 A 16 16 GLY HA2 H 16 3.970 4.053 -0.083 1
1 132 . 4 1 1 A 16 16 GLY HA3 H 16 3.970 4.053 -0.083 1
1 133 . 4 1 1 A 16 16 GLY C C 16 174.100 173.250 0.850 1
1 134 . 4 1 1 A 16 16 GLY CA C 16 45.400 44.348 1.052 1
1 135 . 4 1 1 A 16 16 GLY N N 16 111.300 106.984 4.316 1
1 136 . 4 1 1 A 17 17 CYS H H 17 8.300 8.210 0.090 1
1 137 . 4 1 1 A 17 17 CYS HA H 17 4.500 4.533 -0.033 1
1 140 . 4 1 1 A 17 17 CYS C C 17 174.500 174.361 0.139 1
1 141 . 4 1 1 A 17 17 CYS CA C 17 58.300 59.377 -1.077 1
1 142 . 4 1 1 A 17 17 CYS CB C 17 28.100 28.585 -0.485 1
1 143 . 4 1 1 A 17 17 CYS N N 17 118.900 121.875 -2.975 1
1 144 . 4 1 1 A 18 18 ALA H H 18 8.520 8.287 0.233 1
1 145 . 4 1 1 A 18 18 ALA HA H 18 4.260 4.468 -0.208 1
1 149 . 4 1 1 A 18 18 ALA C C 18 178.000 177.354 0.646 1
1 150 . 4 1 1 A 18 18 ALA CA C 18 52.900 51.921 0.979 1
1 151 . 4 1 1 A 18 18 ALA CB C 18 19.000 19.192 -0.192 1
1 152 . 4 1 1 A 18 18 ALA N N 18 126.800 128.235 -1.435 1
1 153 . 4 1 1 A 19 19 GLY H H 19 8.310 8.699 -0.389 1
1 154 . 4 1 1 A 19 19 GLY HA2 H 19 3.890 4.054 -0.164 1
1 155 . 4 1 1 A 19 19 GLY HA3 H 19 3.890 4.054 -0.164 1
1 156 . 4 1 1 A 19 19 GLY C C 19 174.000 175.231 -1.231 1
1 157 . 4 1 1 A 19 19 GLY CA C 19 45.000 45.413 -0.413 1
1 158 . 4 1 1 A 19 19 GLY N N 19 108.100 110.937 -2.837 1
1 159 . 4 1 1 A 20 20 GLU H H 20 8.180 8.740 -0.560 1
1 160 . 4 1 1 A 20 20 GLU HA H 20 4.270 4.242 0.028 1
1 165 . 4 1 1 A 20 20 GLU C C 20 176.400 176.824 -0.424 1
1 166 . 4 1 1 A 20 20 GLU CA C 20 56.200 56.336 -0.136 1
1 167 . 4 1 1 A 20 20 GLU CB C 20 30.100 28.787 1.313 1
1 169 . 4 1 1 A 20 20 GLU N N 20 120.500 122.839 -2.339 1
1 170 . 4 1 1 A 21 21 ILE H H 21 8.160 7.758 0.402 1
1 171 . 4 1 1 A 21 21 ILE HA H 21 4.020 4.300 -0.280 1
1 181 . 4 1 1 A 21 21 ILE C C 21 176.400 176.416 -0.016 1
1 182 . 4 1 1 A 21 21 ILE CA C 21 61.200 61.328 -0.128 1
1 183 . 4 1 1 A 21 21 ILE CB C 21 38.200 37.317 0.883 1
1 187 . 4 1 1 A 21 21 ILE N N 21 122.000 116.800 5.200 1
1 188 . 4 1 1 A 22 22 GLY H H 22 8.260 8.032 0.228 1
1 189 . 4 1 1 A 22 22 GLY HA2 H 22 3.740 3.807 -0.067 1
1 190 . 4 1 1 A 22 22 GLY HA3 H 22 3.880 3.845 0.035 1
1 191 . 4 1 1 A 22 22 GLY C C 22 173.200 174.140 -0.940 1
1 192 . 4 1 1 A 22 22 GLY CA C 22 45.100 46.911 -1.811 1
1 193 . 4 1 1 A 22 22 GLY N N 22 112.500 111.739 0.761 1
1 194 . 4 1 1 A 23 23 PHE H H 23 7.890 8.655 -0.765 1
1 195 . 4 1 1 A 23 23 PHE HA H 23 4.550 4.813 -0.263 1
1 202 . 4 1 1 A 23 23 PHE CA C 23 58.100 55.892 2.208 1
1 203 . 4 1 1 A 23 23 PHE CB C 23 41.200 40.847 0.353 1
1 206 . 4 1 1 A 23 23 PHE N N 23 119.700 122.667 -2.967 1
1 207 . 4 1 1 A 24 24 ILE HA H 24 3.970 4.098 -0.128 1
1 217 . 4 1 1 A 24 24 ILE CA C 24 62.400 62.443 -0.043 1
1 218 . 4 1 1 A 24 24 ILE CB C 24 37.700 37.947 -0.247 1
1 222 . 4 1 1 A 25 25 ILE H H 25 8.950 8.527 0.423 1
1 223 . 4 1 1 A 25 25 ILE HA H 25 3.740 3.915 -0.175 1
1 233 . 4 1 1 A 25 25 ILE C C 25 175.200 175.910 -0.710 1
1 234 . 4 1 1 A 25 25 ILE CA C 25 62.700 62.268 0.432 1
1 235 . 4 1 1 A 25 25 ILE CB C 25 38.200 38.290 -0.090 1
1 239 . 4 1 1 A 25 25 ILE N N 25 124.800 126.972 -2.172 1
1 240 . 4 1 1 A 26 26 ARG H H 26 8.040 8.003 0.037 1
1 241 . 4 1 1 A 26 26 ARG HA H 26 4.140 4.264 -0.124 1
1 248 . 4 1 1 A 26 26 ARG C C 26 175.900 176.373 -0.473 1
1 249 . 4 1 1 A 26 26 ARG CA C 26 55.300 56.463 -1.163 1
1 250 . 4 1 1 A 26 26 ARG CB C 26 31.100 30.496 0.604 1
1 253 . 4 1 1 A 26 26 ARG N N 26 128.100 126.134 1.966 1
1 254 . 4 1 1 A 27 27 GLU H H 27 8.560 8.667 -0.107 1
1 255 . 4 1 1 A 27 27 GLU HA H 27 4.030 4.183 -0.153 1
1 260 . 4 1 1 A 27 27 GLU C C 27 176.300 176.848 -0.548 1
1 261 . 4 1 1 A 27 27 GLU CA C 27 57.000 58.181 -1.181 1
1 262 . 4 1 1 A 27 27 GLU CB C 27 30.000 29.817 0.183 1
1 264 . 4 1 1 A 27 27 GLU N N 27 123.500 124.062 -0.562 1
1 265 . 4 1 1 A 28 28 GLY H H 28 8.420 8.391 0.029 1
1 266 . 4 1 1 A 28 28 GLY HA2 H 28 4.050 4.192 -0.142 1
1 267 . 4 1 1 A 28 28 GLY HA3 H 28 4.220 4.195 0.025 1
1 268 . 4 1 1 A 28 28 GLY C C 28 174.000 173.355 0.645 1
1 269 . 4 1 1 A 28 28 GLY CA C 28 45.400 45.622 -0.222 1
1 270 . 4 1 1 A 28 28 GLY N N 28 108.300 111.354 -3.054 1
1 271 . 4 1 1 A 29 29 ASP H H 29 8.690 8.945 -0.255 1
1 272 . 4 1 1 A 29 29 ASP HA H 29 4.430 4.364 0.066 1
1 275 . 4 1 1 A 29 29 ASP C C 29 175.200 175.040 0.160 1
1 276 . 4 1 1 A 29 29 ASP CA C 29 56.300 56.279 0.021 1
1 277 . 4 1 1 A 29 29 ASP CB C 29 40.300 39.425 0.875 1
1 278 . 4 1 1 A 29 29 ASP N N 29 119.800 119.534 0.266 1
1 279 . 4 1 1 A 30 30 ASP H H 30 8.630 8.555 0.075 1
1 280 . 4 1 1 A 30 30 ASP HA H 30 4.260 4.758 -0.498 1
1 283 . 4 1 1 A 30 30 ASP C C 30 174.300 175.194 -0.894 1
1 284 . 4 1 1 A 30 30 ASP CA C 30 52.600 53.387 -0.787 1
1 285 . 4 1 1 A 30 30 ASP CB C 30 39.200 39.906 -0.706 1
1 286 . 4 1 1 A 30 30 ASP N N 30 114.900 121.459 -6.559 1
1 287 . 4 1 1 A 31 31 VAL H H 31 7.550 8.488 -0.938 1
1 288 . 4 1 1 A 31 31 VAL HA H 31 5.300 4.584 0.716 1
1 296 . 4 1 1 A 31 31 VAL C C 31 175.800 175.148 0.652 1
1 297 . 4 1 1 A 31 31 VAL CA C 31 60.700 61.687 -0.987 1
1 298 . 4 1 1 A 31 31 VAL CB C 31 35.000 33.093 1.907 1
1 301 . 4 1 1 A 31 31 VAL N N 31 120.500 124.465 -3.965 1
1 302 . 4 1 1 A 32 32 ALA H H 32 9.580 8.863 0.717 1
1 303 . 4 1 1 A 32 32 ALA HA H 32 5.030 5.307 -0.277 1
1 307 . 4 1 1 A 32 32 ALA C C 32 175.800 174.891 0.909 1
1 308 . 4 1 1 A 32 32 ALA CA C 32 50.000 51.163 -1.163 1
1 309 . 4 1 1 A 32 32 ALA CB C 32 22.800 23.253 -0.453 1
1 310 . 4 1 1 A 32 32 ALA N N 32 130.500 128.681 1.819 1
1 311 . 4 1 1 A 33 33 GLU H H 33 9.270 8.949 0.321 1
1 312 . 4 1 1 A 33 33 GLU HA H 33 5.140 5.212 -0.072 1
1 317 . 4 1 1 A 33 33 GLU C C 33 175.900 175.330 0.570 1
1 318 . 4 1 1 A 33 33 GLU CA C 33 55.300 55.438 -0.138 1
1 319 . 4 1 1 A 33 33 GLU CB C 33 31.500 31.923 -0.423 1
1 321 . 4 1 1 A 33 33 GLU N N 33 124.500 122.570 1.930 1
1 322 . 4 1 1 A 34 34 VAL H H 34 9.140 9.096 0.044 1
1 323 . 4 1 1 A 34 34 VAL HA H 34 4.580 5.043 -0.463 1
1 331 . 4 1 1 A 34 34 VAL C C 34 174.300 174.911 -0.611 1
1 332 . 4 1 1 A 34 34 VAL CA C 34 60.800 60.912 -0.112 1
1 333 . 4 1 1 A 34 34 VAL CB C 34 35.700 34.697 1.003 1
1 336 . 4 1 1 A 34 34 VAL N N 34 124.700 126.870 -2.170 1
1 337 . 4 1 1 A 35 35 SER H H 35 8.450 9.026 -0.576 1
1 338 . 4 1 1 A 35 35 SER HA H 35 5.060 4.982 0.078 1
1 341 . 4 1 1 A 35 35 SER C C 35 172.100 173.397 -1.297 1
1 342 . 4 1 1 A 35 35 SER CA C 35 56.900 57.661 -0.761 1
1 343 . 4 1 1 A 35 35 SER CB C 35 64.800 64.127 0.673 1
1 344 . 4 1 1 A 35 35 SER N N 35 122.100 125.192 -3.092 1
1 345 . 4 1 1 A 36 36 LEU H H 36 8.540 8.241 0.299 1
1 346 . 4 1 1 A 36 36 LEU HA H 36 4.570 4.859 -0.289 1
1 356 . 4 1 1 A 36 36 LEU C C 36 174.200 175.305 -1.105 1
1 357 . 4 1 1 A 36 36 LEU CA C 36 52.600 53.348 -0.748 1
1 358 . 4 1 1 A 36 36 LEU CB C 36 45.600 44.961 0.639 1
1 362 . 4 1 1 A 36 36 LEU N N 36 123.600 126.621 -3.021 1
1 363 . 4 1 1 A 37 37 PHE H H 37 8.400 8.820 -0.420 1
1 364 . 4 1 1 A 37 37 PHE HA H 37 5.300 5.555 -0.255 1
1 369 . 4 1 1 A 37 37 PHE C C 37 175.600 175.823 -0.223 1
1 370 . 4 1 1 A 37 37 PHE CA C 37 56.300 55.772 0.528 1
1 371 . 4 1 1 A 37 37 PHE CB C 37 42.000 43.052 -1.052 1
1 374 . 4 1 1 A 37 37 PHE N N 37 118.300 121.440 -3.140 1
1 375 . 4 1 1 A 38 38 GLY H H 38 8.340 8.995 -0.655 1
1 376 . 4 1 1 A 38 38 GLY HA2 H 38 3.750 4.298 -0.548 1
1 377 . 4 1 1 A 38 38 GLY HA3 H 38 4.210 4.387 -0.177 1
1 378 . 4 1 1 A 38 38 GLY CA C 38 45.600 45.971 -0.371 1
1 379 . 4 1 1 A 38 38 GLY N N 38 109.300 109.391 -0.091 1
1 380 . 4 1 1 A 39 39 SER HA H 39 4.210 4.470 -0.260 1
1 383 . 4 1 1 A 39 39 SER C C 39 173.700 174.360 -0.660 1
1 384 . 4 1 1 A 39 39 SER CA C 39 60.100 59.415 0.685 1
1 385 . 4 1 1 A 39 39 SER CB C 39 63.900 63.273 0.627 1
1 386 . 4 1 1 A 40 40 ASP H H 40 7.670 7.888 -0.218 1
1 387 . 4 1 1 A 40 40 ASP HA H 40 4.810 4.773 0.037 1
1 390 . 4 1 1 A 40 40 ASP C C 40 175.500 176.365 -0.865 1
1 391 . 4 1 1 A 40 40 ASP CA C 40 52.900 52.369 0.531 1
1 392 . 4 1 1 A 40 40 ASP CB C 40 41.300 41.675 -0.375 1
1 393 . 4 1 1 A 40 40 ASP N N 40 115.800 120.088 -4.288 1
1 394 . 4 1 1 A 41 41 LYS H H 41 8.260 8.676 -0.416 1
1 395 . 4 1 1 A 41 41 LYS HA H 41 3.780 3.965 -0.185 1
1 404 . 4 1 1 A 41 41 LYS C C 41 177.100 178.025 -0.925 1
1 405 . 4 1 1 A 41 41 LYS CA C 41 60.500 58.880 1.620 1
1 406 . 4 1 1 A 41 41 LYS CB C 41 33.400 32.004 1.396 1
1 410 . 4 1 1 A 41 41 LYS N N 41 120.200 121.167 -0.967 1
1 411 . 4 1 1 A 42 42 ALA H H 42 8.420 7.973 0.447 1
1 412 . 4 1 1 A 42 42 ALA HA H 42 4.180 4.253 -0.073 1
1 416 . 4 1 1 A 42 42 ALA C C 42 181.900 179.681 2.219 1
1 417 . 4 1 1 A 42 42 ALA CA C 42 55.400 54.958 0.442 1
1 418 . 4 1 1 A 42 42 ALA CB C 42 17.700 18.170 -0.470 1
1 419 . 4 1 1 A 42 42 ALA N N 42 120.700 122.000 -1.300 1
1 420 . 4 1 1 A 43 43 HIS H H 43 8.490 8.378 0.112 1
1 421 . 4 1 1 A 43 43 HIS HA H 43 4.330 4.354 -0.024 1
1 424 . 4 1 1 A 43 43 HIS C C 43 178.800 176.973 1.827 1
1 425 . 4 1 1 A 43 43 HIS CA C 43 59.600 59.851 -0.251 1
1 426 . 4 1 1 A 43 43 HIS CB C 43 30.300 29.924 0.376 1
1 427 . 4 1 1 A 43 43 HIS N N 43 118.000 118.192 -0.192 1
1 428 . 4 1 1 A 44 44 LEU H H 44 8.340 8.130 0.210 1
1 429 . 4 1 1 A 44 44 LEU HA H 44 3.750 3.746 0.004 1
1 439 . 4 1 1 A 44 44 LEU C C 44 178.500 179.082 -0.582 1
1 440 . 4 1 1 A 44 44 LEU CA C 44 58.200 57.918 0.282 1
1 441 . 4 1 1 A 44 44 LEU CB C 44 42.100 41.267 0.833 1
1 445 . 4 1 1 A 44 44 LEU N N 44 121.500 119.169 2.331 1
1 446 . 4 1 1 A 45 45 GLU H H 45 8.880 8.345 0.535 1
1 447 . 4 1 1 A 45 45 GLU HA H 45 3.750 4.029 -0.279 1
1 452 . 4 1 1 A 45 45 GLU C C 45 180.200 180.117 0.083 1
1 453 . 4 1 1 A 45 45 GLU CA C 45 60.000 59.452 0.548 1
1 454 . 4 1 1 A 45 45 GLU CB C 45 29.000 29.081 -0.081 1
1 456 . 4 1 1 A 45 45 GLU N N 45 118.300 118.206 0.094 1
1 457 . 4 1 1 A 46 46 GLY H H 46 7.970 8.096 -0.126 1
1 458 . 4 1 1 A 46 46 GLY HA2 H 46 3.920 3.660 0.260 1
1 459 . 4 1 1 A 46 46 GLY HA3 H 46 3.920 3.705 0.215 1
1 460 . 4 1 1 A 46 46 GLY C C 46 176.500 175.603 0.897 1
1 461 . 4 1 1 A 46 46 GLY CA C 46 46.900 47.182 -0.282 1
1 462 . 4 1 1 A 46 46 GLY N N 46 108.100 109.476 -1.376 1
1 463 . 4 1 1 A 47 47 LYS H H 47 7.690 7.802 -0.112 1
1 464 . 4 1 1 A 47 47 LYS HA H 47 4.320 4.066 0.254 1
1 473 . 4 1 1 A 47 47 LYS C C 47 179.400 178.835 0.565 1
1 474 . 4 1 1 A 47 47 LYS CA C 47 58.400 58.816 -0.416 1
1 475 . 4 1 1 A 47 47 LYS CB C 47 32.100 32.006 0.094 1
1 479 . 4 1 1 A 47 47 LYS N N 47 122.400 121.609 0.791 1
1 480 . 4 1 1 A 48 48 LEU H H 48 8.550 8.009 0.541 1
1 481 . 4 1 1 A 48 48 LEU HA H 48 3.980 3.949 0.031 1
1 491 . 4 1 1 A 48 48 LEU C C 48 178.300 178.416 -0.116 1
1 492 . 4 1 1 A 48 48 LEU CA C 48 57.900 57.614 0.286 1
1 493 . 4 1 1 A 48 48 LEU CB C 48 40.800 41.080 -0.280 1
1 497 . 4 1 1 A 48 48 LEU N N 48 120.600 121.191 -0.591 1
1 498 . 4 1 1 A 49 49 ALA H H 49 7.810 8.183 -0.373 1
1 499 . 4 1 1 A 49 49 ALA HA H 49 4.000 3.926 0.074 1
1 503 . 4 1 1 A 49 49 ALA C C 49 180.400 180.217 0.183 1
1 504 . 4 1 1 A 49 49 ALA CA C 49 55.600 55.425 0.175 1
1 505 . 4 1 1 A 49 49 ALA CB C 49 17.900 18.251 -0.351 1
1 506 . 4 1 1 A 49 49 ALA N N 49 120.000 120.083 -0.083 1
1 507 . 4 1 1 A 50 50 GLU H H 50 7.520 7.885 -0.365 1
1 508 . 4 1 1 A 50 50 GLU HA H 50 4.130 4.073 0.057 1
1 513 . 4 1 1 A 50 50 GLU C C 50 179.600 179.221 0.379 1
1 514 . 4 1 1 A 50 50 GLU CA C 50 59.200 58.979 0.221 1
1 515 . 4 1 1 A 50 50 GLU CB C 50 29.800 29.645 0.155 1
1 517 . 4 1 1 A 50 50 GLU N N 50 117.300 118.951 -1.651 1
1 518 . 4 1 1 A 51 51 TYR H H 51 7.860 8.248 -0.388 1
1 519 . 4 1 1 A 51 51 TYR HA H 51 3.900 4.372 -0.472 1
1 526 . 4 1 1 A 51 51 TYR C C 51 177.900 178.510 -0.610 1
1 527 . 4 1 1 A 51 51 TYR CA C 51 62.400 61.098 1.302 1
1 528 . 4 1 1 A 51 51 TYR CB C 51 38.200 37.996 0.204 1
1 533 . 4 1 1 A 51 51 TYR N N 51 120.300 119.685 0.615 1
1 534 . 4 1 1 A 52 52 ILE H H 52 8.590 8.047 0.543 1
1 535 . 4 1 1 A 52 52 ILE HA H 52 3.420 3.631 -0.211 1
1 545 . 4 1 1 A 52 52 ILE C C 52 177.400 178.225 -0.825 1
1 546 . 4 1 1 A 52 52 ILE CA C 52 66.200 65.302 0.898 1
1 547 . 4 1 1 A 52 52 ILE CB C 52 38.200 38.177 0.023 1
1 551 . 4 1 1 A 52 52 ILE N N 52 120.100 120.792 -0.692 1
1 552 . 4 1 1 A 53 53 SER H H 53 7.860 7.860 0.000 1
1 553 . 4 1 1 A 53 53 SER HA H 53 4.080 4.102 -0.022 1
1 556 . 4 1 1 A 53 53 SER C C 53 177.700 176.305 1.395 1
1 557 . 4 1 1 A 53 53 SER CA C 53 61.800 62.350 -0.550 1
1 558 . 4 1 1 A 53 53 SER CB C 53 62.600 63.272 -0.672 1
1 559 . 4 1 1 A 53 53 SER N N 53 113.100 116.067 -2.967 1
1 560 . 4 1 1 A 54 54 LEU H H 54 7.610 8.062 -0.452 1
1 561 . 4 1 1 A 54 54 LEU HA H 54 4.090 4.085 0.005 1
1 571 . 4 1 1 A 54 54 LEU C C 54 178.600 179.100 -0.500 1
1 572 . 4 1 1 A 54 54 LEU CA C 54 58.000 57.622 0.378 1
1 573 . 4 1 1 A 54 54 LEU CB C 54 42.200 41.482 0.718 1
1 577 . 4 1 1 A 54 54 LEU N N 54 121.200 121.191 0.009 1
1 578 . 4 1 1 A 55 55 ALA H H 55 8.640 8.821 -0.181 1
1 579 . 4 1 1 A 55 55 ALA HA H 55 3.860 3.983 -0.123 1
1 583 . 4 1 1 A 55 55 ALA C C 55 179.100 179.043 0.057 1
1 584 . 4 1 1 A 55 55 ALA CA C 55 56.200 55.473 0.727 1
1 585 . 4 1 1 A 55 55 ALA CB C 55 19.000 18.076 0.924 1
1 586 . 4 1 1 A 55 55 ALA N N 55 121.900 121.898 0.002 1
1 587 . 4 1 1 A 56 56 LYS H H 56 8.120 8.465 -0.345 1
1 588 . 4 1 1 A 56 56 LYS HA H 56 4.220 4.019 0.201 1
1 597 . 4 1 1 A 56 56 LYS C C 56 178.800 178.917 -0.117 1
1 598 . 4 1 1 A 56 56 LYS CA C 56 58.300 59.780 -1.480 1
1 599 . 4 1 1 A 56 56 LYS CB C 56 32.900 32.489 0.411 1
1 603 . 4 1 1 A 56 56 LYS N N 56 115.600 118.637 -3.037 1
1 604 . 4 1 1 A 57 57 GLN H H 57 7.590 7.761 -0.171 1
1 605 . 4 1 1 A 57 57 GLN HA H 57 4.010 4.030 -0.020 1
1 612 . 4 1 1 A 57 57 GLN C C 57 178.300 179.038 -0.738 1
1 613 . 4 1 1 A 57 57 GLN CA C 57 58.400 58.839 -0.439 1
1 614 . 4 1 1 A 57 57 GLN CB C 57 28.600 28.308 0.292 1
1 617 . 4 1 1 A 57 57 GLN N N 57 117.900 118.234 -0.334 1
1 619 . 4 1 1 A 58 58 VAL H H 58 7.650 7.845 -0.195 1
1 620 . 4 1 1 A 58 58 VAL HA H 58 3.750 3.768 -0.018 1
1 628 . 4 1 1 A 58 58 VAL C C 58 176.400 176.177 0.223 1
1 629 . 4 1 1 A 58 58 VAL CA C 58 65.500 65.964 -0.464 1
1 630 . 4 1 1 A 58 58 VAL CB C 58 32.000 31.990 0.010 1
1 633 . 4 1 1 A 58 58 VAL N N 58 120.200 118.184 2.016 1
1 634 . 4 1 1 A 59 59 TYR H H 59 8.700 8.020 0.680 1
1 635 . 4 1 1 A 59 59 TYR HA H 59 5.040 4.901 0.139 1
1 642 . 4 1 1 A 59 59 TYR C C 59 174.100 173.730 0.370 1
1 643 . 4 1 1 A 59 59 TYR CA C 59 55.500 57.174 -1.674 1
1 644 . 4 1 1 A 59 59 TYR CB C 59 40.500 41.724 -1.224 1
1 649 . 4 1 1 A 59 59 TYR N N 59 120.400 119.795 0.605 1
1 650 . 4 1 1 A 60 60 ALA H H 60 8.900 8.233 0.667 1
1 651 . 4 1 1 A 60 60 ALA HA H 60 4.230 4.112 0.118 1
1 655 . 4 1 1 A 60 60 ALA CA C 60 55.400 52.299 3.101 1
1 656 . 4 1 1 A 60 60 ALA CB C 60 18.100 19.342 -1.242 1
1 657 . 4 1 1 A 60 60 ALA N N 60 131.000 129.183 1.817 1
1 658 . 4 1 1 A 61 61 ASN H H 61 5.430 8.862 -3.432 1
1 659 . 4 1 1 A 61 61 ASN HA H 61 4.760 4.184 0.576 1
1 664 . 4 1 1 A 61 61 ASN C C 61 173.200 174.033 -0.833 1
1 665 . 4 1 1 A 61 61 ASN CA C 61 51.800 54.046 -2.246 1
1 666 . 4 1 1 A 61 61 ASN CB C 61 37.600 36.841 0.759 1
1 668 . 4 1 1 A 61 61 ASN N N 61 111.100 115.244 -4.144 1
1 670 . 4 1 1 A 62 62 VAL H H 62 6.870 7.786 -0.916 1
1 671 . 4 1 1 A 62 62 VAL HA H 62 3.730 4.323 -0.593 1
1 679 . 4 1 1 A 62 62 VAL C C 62 172.400 174.822 -2.422 1
1 680 . 4 1 1 A 62 62 VAL CA C 62 62.500 62.583 -0.083 1
1 681 . 4 1 1 A 62 62 VAL CB C 62 31.300 32.693 -1.393 1
1 684 . 4 1 1 A 62 62 VAL N N 62 120.400 118.265 2.135 1
1 685 . 4 1 1 A 63 63 GLU H H 63 7.360 8.718 -1.358 1
1 686 . 4 1 1 A 63 63 GLU HA H 63 4.590 5.068 -0.478 1
1 691 . 4 1 1 A 63 63 GLU C C 63 174.500 174.650 -0.150 1
1 692 . 4 1 1 A 63 63 GLU CA C 63 54.000 54.852 -0.852 1
1 693 . 4 1 1 A 63 63 GLU CB C 63 32.700 33.354 -0.654 1
1 695 . 4 1 1 A 63 63 GLU N N 63 126.500 128.546 -2.046 1
1 696 . 4 1 1 A 64 64 TYR H H 64 8.300 8.474 -0.174 1
1 697 . 4 1 1 A 64 64 TYR HA H 64 5.400 5.287 0.113 1
1 704 . 4 1 1 A 64 64 TYR C C 64 173.400 172.104 1.296 1
1 705 . 4 1 1 A 64 64 TYR CA C 64 54.800 55.585 -0.785 1
1 706 . 4 1 1 A 64 64 TYR CB C 64 41.800 41.462 0.338 1
1 711 . 4 1 1 A 64 64 TYR N N 64 118.800 121.247 -2.447 1
1 712 . 4 1 1 A 65 65 GLU H H 65 8.470 8.136 0.334 1
1 713 . 4 1 1 A 65 65 GLU HA H 65 4.440 4.798 -0.358 1
1 718 . 4 1 1 A 65 65 GLU C C 65 173.800 174.465 -0.665 1
1 719 . 4 1 1 A 65 65 GLU CA C 65 54.600 55.023 -0.423 1
1 720 . 4 1 1 A 65 65 GLU CB C 65 35.000 33.780 1.220 1
1 722 . 4 1 1 A 65 65 GLU N N 65 121.300 120.115 1.185 1
1 723 . 4 1 1 A 66 66 VAL H H 66 8.780 8.820 -0.040 1
1 724 . 4 1 1 A 66 66 VAL HA H 66 4.600 4.989 -0.389 1
1 732 . 4 1 1 A 66 66 VAL C C 66 175.900 175.100 0.800 1
1 733 . 4 1 1 A 66 66 VAL CA C 66 60.800 60.092 0.708 1
1 734 . 4 1 1 A 66 66 VAL CB C 66 33.800 34.605 -0.805 1
1 737 . 4 1 1 A 66 66 VAL N N 66 126.000 119.776 6.224 1
1 738 . 4 1 1 A 67 67 ALA H H 67 8.400 8.458 -0.058 1
1 739 . 4 1 1 A 67 67 ALA HA H 67 4.390 4.581 -0.191 1
1 743 . 4 1 1 A 67 67 ALA CA C 67 51.100 51.154 -0.054 1
1 744 . 4 1 1 A 67 67 ALA CB C 67 16.800 18.616 -1.816 1
1 745 . 4 1 1 A 67 67 ALA N N 67 132.400 127.590 4.810 1
1 746 . 4 1 1 A 68 68 PRO HA H 68 4.260 4.545 -0.285 1
1 753 . 4 1 1 A 68 68 PRO C C 68 176.400 176.097 0.303 1
1 754 . 4 1 1 A 68 68 PRO CA C 68 63.800 63.398 0.402 1
1 755 . 4 1 1 A 68 68 PRO CB C 68 31.800 32.160 -0.360 1
1 758 . 4 1 1 A 69 69 VAL H H 69 8.240 8.489 -0.249 1
1 759 . 4 1 1 A 69 69 VAL HA H 69 4.360 4.654 -0.294 1
1 767 . 4 1 1 A 69 69 VAL C C 69 175.500 175.187 0.313 1
1 768 . 4 1 1 A 69 69 VAL CA C 69 60.500 60.603 -0.103 1
1 769 . 4 1 1 A 69 69 VAL CB C 69 34.200 35.666 -1.466 1
1 772 . 4 1 1 A 69 69 VAL N N 69 121.600 123.595 -1.995 1
1 773 . 4 1 1 A 70 70 ALA H H 70 8.630 8.669 -0.039 1
1 774 . 4 1 1 A 70 70 ALA HA H 70 4.370 4.536 -0.166 1
1 778 . 4 1 1 A 70 70 ALA C C 70 178.100 178.007 0.093 1
1 779 . 4 1 1 A 70 70 ALA CA C 70 51.700 51.729 -0.029 1
1 780 . 4 1 1 A 70 70 ALA CB C 70 19.700 20.111 -0.411 1
1 781 . 4 1 1 A 70 70 ALA N N 70 128.800 129.284 -0.484 1
1 782 . 4 1 1 A 71 71 ASP H H 71 8.640 9.031 -0.391 1
1 783 . 4 1 1 A 71 71 ASP HA H 71 4.330 4.348 -0.018 1
1 786 . 4 1 1 A 71 71 ASP C C 71 177.000 176.723 0.277 1
1 787 . 4 1 1 A 71 71 ASP CA C 71 57.300 57.468 -0.168 1
1 788 . 4 1 1 A 71 71 ASP CB C 71 40.300 40.582 -0.282 1
1 789 . 4 1 1 A 71 71 ASP N N 71 118.900 122.121 -3.221 1
1 790 . 4 1 1 A 72 72 ASN H H 72 8.100 8.253 -0.153 1
1 791 . 4 1 1 A 72 72 ASN HA H 72 4.810 4.776 0.034 1
1 796 . 4 1 1 A 72 72 ASN C C 72 175.300 175.385 -0.085 1
1 797 . 4 1 1 A 72 72 ASN CA C 72 51.900 52.014 -0.114 1
1 798 . 4 1 1 A 72 72 ASN CB C 72 37.400 37.439 -0.039 1
1 800 . 4 1 1 A 72 72 ASN N N 72 114.800 113.145 1.655 1
1 802 . 4 1 1 A 73 73 ALA H H 73 7.580 7.223 0.357 1
1 803 . 4 1 1 A 73 73 ALA HA H 73 4.230 4.220 0.010 1
1 807 . 4 1 1 A 73 73 ALA C C 73 176.300 178.679 -2.379 1
1 808 . 4 1 1 A 73 73 ALA CA C 73 53.200 52.785 0.415 1
1 809 . 4 1 1 A 73 73 ALA CB C 73 21.000 18.918 2.082 1
1 810 . 4 1 1 A 73 73 ALA N N 73 123.400 122.989 0.411 1
1 811 . 4 1 1 A 74 74 THR H H 74 8.220 8.901 -0.681 1
1 812 . 4 1 1 A 74 74 THR HA H 74 4.560 4.737 -0.177 1
1 817 . 4 1 1 A 74 74 THR C C 74 174.100 173.850 0.250 1
1 818 . 4 1 1 A 74 74 THR CA C 74 60.200 62.047 -1.847 1
1 819 . 4 1 1 A 74 74 THR CB C 74 69.900 69.561 0.339 1
1 821 . 4 1 1 A 74 74 THR N N 74 104.600 112.264 -7.664 1
1 822 . 4 1 1 A 75 75 GLU H H 75 7.310 7.887 -0.577 1
1 823 . 4 1 1 A 75 75 GLU HA H 75 5.190 4.883 0.307 1
1 828 . 4 1 1 A 75 75 GLU C C 75 173.600 173.349 0.251 1
1 829 . 4 1 1 A 75 75 GLU CA C 75 54.100 54.868 -0.768 1
1 830 . 4 1 1 A 75 75 GLU CB C 75 34.100 32.783 1.317 1
1 832 . 4 1 1 A 75 75 GLU N N 75 119.100 119.487 -0.387 1
1 833 . 4 1 1 A 76 76 LEU H H 76 8.400 8.298 0.102 1
1 834 . 4 1 1 A 76 76 LEU HA H 76 4.650 5.007 -0.357 1
1 844 . 4 1 1 A 76 76 LEU C C 76 174.100 173.924 0.176 1
1 845 . 4 1 1 A 76 76 LEU CA C 76 54.200 53.730 0.470 1
1 846 . 4 1 1 A 76 76 LEU CB C 76 47.400 45.892 1.508 1
1 850 . 4 1 1 A 76 76 LEU N N 76 122.600 123.000 -0.400 1
1 851 . 4 1 1 A 77 77 HIS H H 77 9.340 8.743 0.597 1
1 852 . 4 1 1 A 77 77 HIS HA H 77 5.440 5.020 0.420 1
1 855 . 4 1 1 A 77 77 HIS C C 77 172.700 174.565 -1.865 1
1 856 . 4 1 1 A 77 77 HIS CA C 77 54.400 54.980 -0.580 1
1 857 . 4 1 1 A 77 77 HIS CB C 77 31.700 31.520 0.180 1
1 858 . 4 1 1 A 77 77 HIS N N 77 123.500 124.780 -1.280 1
1 859 . 4 1 1 A 78 78 ALA H H 78 9.190 8.591 0.599 1
1 860 . 4 1 1 A 78 78 ALA HA H 78 5.620 5.180 0.440 1
1 864 . 4 1 1 A 78 78 ALA C C 78 175.600 175.346 0.254 1
1 865 . 4 1 1 A 78 78 ALA CA C 78 50.300 50.998 -0.698 1
1 866 . 4 1 1 A 78 78 ALA CB C 78 24.100 23.818 0.282 1
1 867 . 4 1 1 A 78 78 ALA N N 78 124.800 123.115 1.685 1
1 868 . 4 1 1 A 79 79 ARG H H 79 8.680 8.308 0.372 1
1 869 . 4 1 1 A 79 79 ARG HA H 79 5.230 5.553 -0.323 1
1 874 . 4 1 1 A 79 79 ARG C C 79 173.900 174.929 -1.029 1
1 875 . 4 1 1 A 79 79 ARG CA C 79 55.300 54.522 0.778 1
1 876 . 4 1 1 A 79 79 ARG CB C 79 34.400 34.225 0.175 1
1 879 . 4 1 1 A 79 79 ARG N N 79 119.100 119.417 -0.317 1
1 880 . 4 1 1 A 80 80 PHE H H 80 8.970 9.540 -0.570 1
1 881 . 4 1 1 A 80 80 PHE HA H 80 4.720 4.964 -0.244 1
1 889 . 4 1 1 A 80 80 PHE C C 80 172.700 174.557 -1.857 1
1 890 . 4 1 1 A 80 80 PHE CA C 80 56.300 56.201 0.099 1
1 891 . 4 1 1 A 80 80 PHE CB C 80 42.600 43.312 -0.712 1
1 897 . 4 1 1 A 80 80 PHE N N 80 119.200 120.815 -1.615 1
1 898 . 4 1 1 A 81 81 LYS H H 81 9.350 8.136 1.214 1
1 899 . 4 1 1 A 81 81 LYS HA H 81 4.800 4.707 0.093 1
1 908 . 4 1 1 A 81 81 LYS C C 81 174.500 175.174 -0.674 1
1 909 . 4 1 1 A 81 81 LYS CA C 81 55.600 55.033 0.567 1
1 910 . 4 1 1 A 81 81 LYS CB C 81 35.200 33.236 1.964 1
1 914 . 4 1 1 A 81 81 LYS N N 81 124.500 121.117 3.383 1
1 915 . 4 1 1 A 82 82 PHE H H 82 8.840 8.765 0.075 1
1 916 . 4 1 1 A 82 82 PHE HA H 82 4.550 4.521 0.029 1
1 924 . 4 1 1 A 82 82 PHE C C 82 173.200 176.615 -3.415 1
1 925 . 4 1 1 A 82 82 PHE CA C 82 57.800 57.314 0.486 1
1 926 . 4 1 1 A 82 82 PHE CB C 82 40.100 40.811 -0.711 1
1 932 . 4 1 1 A 82 82 PHE N N 82 127.900 124.364 3.536 1
1 933 . 4 1 1 A 83 83 GLU H H 83 7.590 8.308 -0.718 1
1 934 . 4 1 1 A 83 83 GLU HA H 83 4.120 4.023 0.097 1
1 939 . 4 1 1 A 83 83 GLU C C 83 177.500 176.151 1.349 1
1 940 . 4 1 1 A 83 83 GLU CA C 83 58.900 58.634 0.266 1
1 941 . 4 1 1 A 83 83 GLU CB C 83 29.900 29.983 -0.083 1
1 943 . 4 1 1 A 83 83 GLU N N 83 119.400 122.824 -3.424 1
1 944 . 4 1 1 A 84 84 VAL H H 84 7.470 7.525 -0.055 1
1 945 . 4 1 1 A 84 84 VAL HA H 84 4.770 4.766 0.004 1
1 953 . 4 1 1 A 84 84 VAL C C 84 177.100 175.859 1.241 1
1 954 . 4 1 1 A 84 84 VAL CA C 84 58.500 58.731 -0.231 1
1 955 . 4 1 1 A 84 84 VAL CB C 84 36.000 35.177 0.823 1
1 958 . 4 1 1 A 84 84 VAL N N 84 108.000 113.943 -5.943 1
1 959 . 4 1 1 A 85 85 SER H H 85 8.980 8.731 0.249 1
1 960 . 4 1 1 A 85 85 SER HA H 85 4.160 4.161 -0.001 1
1 963 . 4 1 1 A 85 85 SER C C 85 176.900 176.469 0.431 1
1 964 . 4 1 1 A 85 85 SER CA C 85 61.200 61.158 0.042 1
1 965 . 4 1 1 A 85 85 SER CB C 85 62.600 62.581 0.019 1
1 966 . 4 1 1 A 85 85 SER N N 85 120.300 119.561 0.739 1
1 967 . 4 1 1 A 86 86 ALA H H 86 8.370 8.237 0.133 1
1 968 . 4 1 1 A 86 86 ALA HA H 86 4.000 3.908 0.092 1
1 972 . 4 1 1 A 86 86 ALA C C 86 180.500 179.515 0.985 1
1 973 . 4 1 1 A 86 86 ALA CA C 86 55.600 55.354 0.246 1
1 974 . 4 1 1 A 86 86 ALA CB C 86 18.500 18.090 0.410 1
1 975 . 4 1 1 A 86 86 ALA N N 86 121.800 122.542 -0.742 1
1 976 . 4 1 1 A 87 87 GLU H H 87 6.920 7.988 -1.068 1
1 977 . 4 1 1 A 87 87 GLU HA H 87 3.640 3.838 -0.198 1
1 982 . 4 1 1 A 87 87 GLU C C 87 176.700 178.844 -2.144 1
1 983 . 4 1 1 A 87 87 GLU CA C 87 58.000 59.225 -1.225 1
1 984 . 4 1 1 A 87 87 GLU CB C 87 29.300 29.046 0.254 1
1 986 . 4 1 1 A 87 87 GLU N N 87 114.800 117.808 -3.008 1
1 987 . 4 1 1 A 88 88 LYS H H 88 6.520 7.608 -1.088 1
1 988 . 4 1 1 A 88 88 LYS HA H 88 3.140 3.806 -0.666 1
1 997 . 4 1 1 A 88 88 LYS C C 88 178.100 178.821 -0.721 1
1 998 . 4 1 1 A 88 88 LYS CA C 88 59.700 59.075 0.625 1
1 999 . 4 1 1 A 88 88 LYS CB C 88 32.300 32.268 0.032 1
1 1003 . 4 1 1 A 88 88 LYS N N 88 119.900 121.373 -1.473 1
1 1004 . 4 1 1 A 89 89 LEU H H 89 7.920 7.811 0.109 1
1 1005 . 4 1 1 A 89 89 LEU HA H 89 4.080 4.053 0.027 1
1 1015 . 4 1 1 A 89 89 LEU C C 89 179.900 179.419 0.481 1
1 1016 . 4 1 1 A 89 89 LEU CA C 89 58.000 57.975 0.025 1
1 1017 . 4 1 1 A 89 89 LEU CB C 89 41.500 41.778 -0.278 1
1 1021 . 4 1 1 A 89 89 LEU N N 89 118.200 119.572 -1.372 1
1 1022 . 4 1 1 A 90 90 ILE H H 90 7.570 7.669 -0.099 1
1 1023 . 4 1 1 A 90 90 ILE HA H 90 3.710 3.629 0.081 1
1 1033 . 4 1 1 A 90 90 ILE C C 90 178.000 178.327 -0.327 1
1 1034 . 4 1 1 A 90 90 ILE CA C 90 64.700 64.912 -0.212 1
1 1035 . 4 1 1 A 90 90 ILE CB C 90 37.600 37.666 -0.066 1
1 1039 . 4 1 1 A 90 90 ILE N N 90 120.400 119.036 1.364 1
1 1040 . 4 1 1 A 91 91 PHE H H 91 8.180 8.852 -0.672 1
1 1041 . 4 1 1 A 91 91 PHE HA H 91 3.920 3.876 0.044 1
1 1049 . 4 1 1 A 91 91 PHE C C 91 177.200 177.041 0.159 1
1 1050 . 4 1 1 A 91 91 PHE CA C 91 61.600 61.389 0.211 1
1 1051 . 4 1 1 A 91 91 PHE CB C 91 39.600 39.032 0.568 1
1 1057 . 4 1 1 A 91 91 PHE N N 91 120.100 119.848 0.252 1
1 1058 . 4 1 1 A 92 92 GLU H H 92 8.470 8.547 -0.077 1
1 1059 . 4 1 1 A 92 92 GLU HA H 92 3.620 3.848 -0.228 1
1 1064 . 4 1 1 A 92 92 GLU C C 92 179.100 179.115 -0.015 1
1 1065 . 4 1 1 A 92 92 GLU CA C 92 60.100 59.144 0.956 1
1 1066 . 4 1 1 A 92 92 GLU CB C 92 29.300 29.210 0.090 1
1 1068 . 4 1 1 A 92 92 GLU N N 92 118.800 119.351 -0.551 1
1 1069 . 4 1 1 A 93 93 LEU H H 93 7.980 8.044 -0.064 1
1 1070 . 4 1 1 A 93 93 LEU HA H 93 4.000 3.979 0.021 1
1 1080 . 4 1 1 A 93 93 LEU C C 93 180.600 179.124 1.476 1
1 1081 . 4 1 1 A 93 93 LEU CA C 93 58.300 57.944 0.356 1
1 1082 . 4 1 1 A 93 93 LEU CB C 93 41.700 41.213 0.487 1
1 1086 . 4 1 1 A 93 93 LEU N N 93 120.800 120.282 0.518 1
1 1087 . 4 1 1 A 94 94 LYS H H 94 8.340 8.623 -0.283 1
1 1088 . 4 1 1 A 94 94 LYS HA H 94 3.990 3.861 0.129 1
1 1097 . 4 1 1 A 94 94 LYS C C 94 179.600 178.899 0.701 1
1 1098 . 4 1 1 A 94 94 LYS CA C 94 59.200 59.950 -0.750 1
1 1099 . 4 1 1 A 94 94 LYS CB C 94 33.100 31.963 1.137 1
1 1103 . 4 1 1 A 94 94 LYS N N 94 119.300 120.515 -1.215 1
1 1104 . 4 1 1 A 95 95 THR H H 95 8.100 8.059 0.041 1
1 1105 . 4 1 1 A 95 95 THR HA H 95 3.640 3.472 0.168 1
1 1110 . 4 1 1 A 95 95 THR C C 95 176.800 176.645 0.155 1
1 1111 . 4 1 1 A 95 95 THR CA C 95 63.800 65.331 -1.531 1
1 1112 . 4 1 1 A 95 95 THR CB C 95 68.900 67.838 1.062 1
1 1114 . 4 1 1 A 95 95 THR N N 95 109.700 113.855 -4.155 1
1 1115 . 4 1 1 A 96 96 ARG H H 96 7.570 8.149 -0.579 1
1 1116 . 4 1 1 A 96 96 ARG HA H 96 4.060 3.975 0.085 1
1 1124 . 4 1 1 A 96 96 ARG C C 96 178.300 178.780 -0.480 1
1 1125 . 4 1 1 A 96 96 ARG CA C 96 59.500 60.151 -0.651 1
1 1126 . 4 1 1 A 96 96 ARG CB C 96 29.800 29.614 0.186 1
1 1130 . 4 1 1 A 96 96 ARG N N 96 123.200 121.617 1.583 1
1 1132 . 4 1 1 A 97 97 ALA H H 97 7.520 8.354 -0.834 1
1 1133 . 4 1 1 A 97 97 ALA HA H 97 4.130 4.091 0.039 1
1 1137 . 4 1 1 A 97 97 ALA C C 97 179.500 180.479 -0.979 1
1 1138 . 4 1 1 A 97 97 ALA CA C 97 54.100 54.969 -0.869 1
1 1139 . 4 1 1 A 97 97 ALA CB C 97 18.200 18.033 0.167 1
1 1140 . 4 1 1 A 97 97 ALA N N 97 119.700 121.438 -1.738 1
1 1141 . 4 1 1 A 98 98 LEU H H 98 7.370 7.966 -0.596 1
1 1142 . 4 1 1 A 98 98 LEU HA H 98 4.070 4.045 0.025 1
1 1152 . 4 1 1 A 98 98 LEU C C 98 178.800 178.484 0.316 1
1 1153 . 4 1 1 A 98 98 LEU CA C 98 56.500 57.921 -1.421 1
1 1154 . 4 1 1 A 98 98 LEU CB C 98 41.700 41.388 0.312 1
1 1158 . 4 1 1 A 98 98 LEU N N 98 118.300 120.591 -2.291 1
1 1159 . 4 1 1 A 99 99 ALA H H 99 7.940 8.092 -0.152 1
1 1160 . 4 1 1 A 99 99 ALA HA H 99 4.250 4.071 0.179 1
1 1164 . 4 1 1 A 99 99 ALA C C 99 179.100 180.106 -1.006 1
1 1165 . 4 1 1 A 99 99 ALA CA C 99 53.600 55.022 -1.422 1
1 1166 . 4 1 1 A 99 99 ALA CB C 99 18.600 18.122 0.478 1
1 1167 . 4 1 1 A 99 99 ALA N N 99 122.100 120.706 1.394 1
1 1168 . 4 1 1 A 100 100 ARG H H 100 7.840 8.337 -0.497 1
1 1169 . 4 1 1 A 100 100 ARG HA H 100 4.210 4.212 -0.002 1
1 1176 . 4 1 1 A 100 100 ARG C C 100 177.100 176.110 0.990 1
1 1177 . 4 1 1 A 100 100 ARG CA C 100 57.100 57.732 -0.632 1
1 1178 . 4 1 1 A 100 100 ARG CB C 100 30.300 31.042 -0.742 1
1 1181 . 4 1 1 A 100 100 ARG N N 100 117.900 117.546 0.354 1
1 1182 . 4 1 1 A 101 101 LEU H H 101 7.890 7.838 0.052 1
1 1183 . 4 1 1 A 101 101 LEU HA H 101 4.240 4.382 -0.142 1
1 1193 . 4 1 1 A 101 101 LEU C C 101 177.800 175.386 2.414 1
1 1194 . 4 1 1 A 101 101 LEU CA C 101 55.700 55.189 0.511 1
1 1195 . 4 1 1 A 101 101 LEU CB C 101 41.900 41.386 0.514 1
1 1199 . 4 1 1 A 101 101 LEU N N 101 120.800 119.774 1.026 1
1 1200 . 4 1 1 A 102 102 GLU H H 102 8.040 8.564 -0.524 1
1 1201 . 4 1 1 A 102 102 GLU HA H 102 4.240 4.394 -0.154 1
1 1206 . 4 1 1 A 102 102 GLU C C 102 176.500 176.763 -0.263 1
1 1207 . 4 1 1 A 102 102 GLU CA C 102 56.600 55.875 0.725 1
1 1208 . 4 1 1 A 102 102 GLU CB C 102 30.000 29.479 0.521 1
1 1210 . 4 1 1 A 102 102 GLU N N 102 120.100 124.227 -4.127 1
1 1211 . 4 1 1 A 103 103 HIS H H 103 8.200 8.669 -0.469 1
1 1212 . 4 1 1 A 103 103 HIS HA H 103 4.540 4.276 0.264 1
1 1216 . 4 1 1 A 103 103 HIS CA C 103 56.100 59.328 -3.228 1
1 1217 . 4 1 1 A 103 103 HIS CB C 103 29.900 29.899 0.001 1
1 1218 . 4 1 1 A 103 103 HIS N N 103 119.200 126.329 -7.129 1
1 1219 . 4 1 1 A 107 107 HIS HA H 107 4.560 4.466 0.094 1
1 1222 . 4 1 1 A 107 107 HIS C C 107 173.800 175.933 -2.133 1
1 1223 . 4 1 1 A 107 107 HIS CA C 107 55.800 55.922 -0.122 1
1 1224 . 4 1 1 A 107 107 HIS CB C 107 29.900 30.766 -0.866 1
1 1 . 5 1 1 A 4 4 GLN HA H 4 4.360 4.525 -0.165 1
1 7 . 5 1 1 A 4 4 GLN C C 4 176.100 175.398 0.702 1
1 8 . 5 1 1 A 4 4 GLN CA C 4 56.000 55.123 0.877 1
1 9 . 5 1 1 A 4 4 GLN CB C 4 29.300 30.275 -0.975 1
1 11 . 5 1 1 A 5 5 THR H H 5 8.280 9.002 -0.722 1
1 12 . 5 1 1 A 5 5 THR HA H 5 4.320 4.439 -0.119 1
1 17 . 5 1 1 A 5 5 THR C C 5 174.300 174.524 -0.224 1
1 18 . 5 1 1 A 5 5 THR CA C 5 62.200 63.185 -0.985 1
1 19 . 5 1 1 A 5 5 THR CB C 5 69.600 69.784 -0.184 1
1 21 . 5 1 1 A 5 5 THR N N 5 115.700 116.170 -0.470 1
1 22 . 5 1 1 A 6 6 CYS H H 6 8.410 7.668 0.742 1
1 23 . 5 1 1 A 6 6 CYS HA H 6 4.540 4.755 -0.215 1
1 26 . 5 1 1 A 6 6 CYS C C 6 174.400 172.957 1.443 1
1 27 . 5 1 1 A 6 6 CYS CA C 6 58.200 58.291 -0.091 1
1 28 . 5 1 1 A 6 6 CYS CB C 6 27.800 32.266 -4.466 1
1 29 . 5 1 1 A 6 6 CYS N N 6 121.900 116.533 5.367 1
1 30 . 5 1 1 A 7 7 VAL H H 7 8.290 8.779 -0.489 1
1 31 . 5 1 1 A 7 7 VAL HA H 7 4.090 4.032 0.058 1
1 39 . 5 1 1 A 7 7 VAL C C 7 176.100 176.239 -0.139 1
1 40 . 5 1 1 A 7 7 VAL CA C 7 62.400 63.169 -0.769 1
1 41 . 5 1 1 A 7 7 VAL CB C 7 32.500 31.975 0.525 1
1 44 . 5 1 1 A 7 7 VAL N N 7 122.700 122.890 -0.190 1
1 45 . 5 1 1 A 8 8 GLU H H 8 8.510 8.976 -0.466 1
1 46 . 5 1 1 A 8 8 GLU HA H 8 4.240 4.398 -0.158 1
1 51 . 5 1 1 A 8 8 GLU C C 8 176.100 175.281 0.819 1
1 52 . 5 1 1 A 8 8 GLU CA C 8 56.900 56.201 0.699 1
1 53 . 5 1 1 A 8 8 GLU CB C 8 30.100 29.484 0.616 1
1 55 . 5 1 1 A 8 8 GLU N N 8 124.300 127.270 -2.970 1
1 56 . 5 1 1 A 9 9 ASN H H 9 8.390 8.217 0.173 1
1 57 . 5 1 1 A 9 9 ASN HA H 9 4.650 4.331 0.319 1
1 62 . 5 1 1 A 9 9 ASN C C 9 174.900 174.742 0.158 1
1 63 . 5 1 1 A 9 9 ASN CA C 9 53.400 54.590 -1.190 1
1 64 . 5 1 1 A 9 9 ASN CB C 9 39.000 36.814 2.186 1
1 66 . 5 1 1 A 9 9 ASN N N 9 119.300 114.623 4.677 1
1 68 . 5 1 1 A 10 10 GLU H H 10 8.330 8.525 -0.195 1
1 69 . 5 1 1 A 10 10 GLU HA H 10 4.250 4.089 0.161 1
1 74 . 5 1 1 A 10 10 GLU C C 10 176.400 175.922 0.478 1
1 75 . 5 1 1 A 10 10 GLU CA C 10 56.800 58.629 -1.829 1
1 76 . 5 1 1 A 10 10 GLU CB C 10 30.200 28.474 1.726 1
1 78 . 5 1 1 A 10 10 GLU N N 10 121.400 110.561 10.839 1
1 79 . 5 1 1 A 11 11 VAL H H 11 8.250 8.254 -0.004 1
1 80 . 5 1 1 A 11 11 VAL HA H 11 4.090 4.041 0.049 1
1 88 . 5 1 1 A 11 11 VAL C C 11 176.100 175.594 0.506 1
1 89 . 5 1 1 A 11 11 VAL CA C 11 62.400 61.770 0.630 1
1 90 . 5 1 1 A 11 11 VAL CB C 11 32.500 32.657 -0.157 1
1 93 . 5 1 1 A 11 11 VAL N N 11 121.900 119.661 2.239 1
1 94 . 5 1 1 A 12 12 CYS H H 12 8.450 8.562 -0.112 1
1 95 . 5 1 1 A 12 12 CYS HA H 12 4.500 4.095 0.405 1
1 98 . 5 1 1 A 12 12 CYS C C 12 174.400 174.261 0.139 1
1 99 . 5 1 1 A 12 12 CYS CA C 12 58.300 59.918 -1.618 1
1 100 . 5 1 1 A 12 12 CYS CB C 12 28.000 26.613 1.387 1
1 101 . 5 1 1 A 12 12 CYS N N 12 123.800 119.964 3.836 1
1 102 . 5 1 1 A 13 13 GLU H H 13 8.560 8.559 0.001 1
1 103 . 5 1 1 A 13 13 GLU HA H 13 4.260 4.294 -0.034 1
1 108 . 5 1 1 A 13 13 GLU C C 13 176.100 176.235 -0.135 1
1 109 . 5 1 1 A 13 13 GLU CA C 13 56.700 57.086 -0.386 1
1 110 . 5 1 1 A 13 13 GLU CB C 13 30.200 29.792 0.408 1
1 112 . 5 1 1 A 13 13 GLU N N 13 124.100 125.882 -1.782 1
1 113 . 5 1 1 A 14 14 ALA H H 14 8.400 8.880 -0.480 1
1 114 . 5 1 1 A 14 14 ALA HA H 14 4.350 4.447 -0.097 1
1 118 . 5 1 1 A 14 14 ALA C C 14 177.700 176.805 0.895 1
1 119 . 5 1 1 A 14 14 ALA CA C 14 52.600 53.387 -0.787 1
1 120 . 5 1 1 A 14 14 ALA CB C 14 19.100 20.052 -0.952 1
1 121 . 5 1 1 A 14 14 ALA N N 14 125.400 124.027 1.373 1
1 122 . 5 1 1 A 15 15 CYS H H 15 8.370 7.953 0.417 1
1 123 . 5 1 1 A 15 15 CYS HA H 15 4.490 4.487 0.003 1
1 126 . 5 1 1 A 15 15 CYS C C 15 175.100 174.927 0.173 1
1 127 . 5 1 1 A 15 15 CYS CA C 15 58.400 58.541 -0.141 1
1 128 . 5 1 1 A 15 15 CYS CB C 15 28.000 28.390 -0.390 1
1 129 . 5 1 1 A 15 15 CYS N N 15 118.500 116.783 1.717 1
1 130 . 5 1 1 A 16 16 GLY H H 16 8.480 8.648 -0.168 1
1 131 . 5 1 1 A 16 16 GLY HA2 H 16 3.970 4.188 -0.218 1
1 132 . 5 1 1 A 16 16 GLY HA3 H 16 3.970 4.190 -0.220 1
1 133 . 5 1 1 A 16 16 GLY C C 16 174.100 172.202 1.898 1
1 134 . 5 1 1 A 16 16 GLY CA C 16 45.400 45.069 0.331 1
1 135 . 5 1 1 A 16 16 GLY N N 16 111.300 111.830 -0.530 1
1 136 . 5 1 1 A 17 17 CYS H H 17 8.300 8.915 -0.615 1
1 137 . 5 1 1 A 17 17 CYS HA H 17 4.500 4.631 -0.131 1
1 140 . 5 1 1 A 17 17 CYS C C 17 174.500 173.911 0.589 1
1 141 . 5 1 1 A 17 17 CYS CA C 17 58.300 58.304 -0.004 1
1 142 . 5 1 1 A 17 17 CYS CB C 17 28.100 26.794 1.306 1
1 143 . 5 1 1 A 17 17 CYS N N 17 118.900 124.550 -5.650 1
1 144 . 5 1 1 A 18 18 ALA H H 18 8.520 7.889 0.631 1
1 145 . 5 1 1 A 18 18 ALA HA H 18 4.260 4.297 -0.037 1
1 149 . 5 1 1 A 18 18 ALA C C 18 178.000 177.829 0.171 1
1 150 . 5 1 1 A 18 18 ALA CA C 18 52.900 52.127 0.773 1
1 151 . 5 1 1 A 18 18 ALA CB C 18 19.000 19.440 -0.440 1
1 152 . 5 1 1 A 18 18 ALA N N 18 126.800 129.642 -2.842 1
1 153 . 5 1 1 A 19 19 GLY H H 19 8.310 8.564 -0.254 1
1 154 . 5 1 1 A 19 19 GLY HA2 H 19 3.890 4.061 -0.171 1
1 155 . 5 1 1 A 19 19 GLY HA3 H 19 3.890 4.062 -0.172 1
1 156 . 5 1 1 A 19 19 GLY C C 19 174.000 174.215 -0.215 1
1 157 . 5 1 1 A 19 19 GLY CA C 19 45.000 45.724 -0.724 1
1 158 . 5 1 1 A 19 19 GLY N N 19 108.100 108.965 -0.865 1
1 159 . 5 1 1 A 20 20 GLU H H 20 8.180 8.632 -0.452 1
1 160 . 5 1 1 A 20 20 GLU HA H 20 4.270 4.597 -0.327 1
1 165 . 5 1 1 A 20 20 GLU C C 20 176.400 175.708 0.692 1
1 166 . 5 1 1 A 20 20 GLU CA C 20 56.200 57.335 -1.135 1
1 167 . 5 1 1 A 20 20 GLU CB C 20 30.100 33.108 -3.008 1
1 169 . 5 1 1 A 20 20 GLU N N 20 120.500 125.797 -5.297 1
1 170 . 5 1 1 A 21 21 ILE H H 21 8.160 7.488 0.672 1
1 171 . 5 1 1 A 21 21 ILE HA H 21 4.020 4.282 -0.262 1
1 181 . 5 1 1 A 21 21 ILE C C 21 176.400 176.053 0.347 1
1 182 . 5 1 1 A 21 21 ILE CA C 21 61.200 60.295 0.905 1
1 183 . 5 1 1 A 21 21 ILE CB C 21 38.200 38.990 -0.790 1
1 187 . 5 1 1 A 21 21 ILE N N 21 122.000 116.541 5.459 1
1 188 . 5 1 1 A 22 22 GLY H H 22 8.260 8.807 -0.547 1
1 189 . 5 1 1 A 22 22 GLY HA2 H 22 3.740 4.011 -0.271 1
1 190 . 5 1 1 A 22 22 GLY HA3 H 22 3.880 4.022 -0.142 1
1 191 . 5 1 1 A 22 22 GLY C C 22 173.200 172.860 0.340 1
1 192 . 5 1 1 A 22 22 GLY CA C 22 45.100 45.075 0.025 1
1 193 . 5 1 1 A 22 22 GLY N N 22 112.500 110.443 2.057 1
1 194 . 5 1 1 A 23 23 PHE H H 23 7.890 8.541 -0.651 1
1 195 . 5 1 1 A 23 23 PHE HA H 23 4.550 5.518 -0.968 1
1 202 . 5 1 1 A 23 23 PHE CA C 23 58.100 55.465 2.635 1
1 203 . 5 1 1 A 23 23 PHE CB C 23 41.200 41.985 -0.785 1
1 206 . 5 1 1 A 23 23 PHE N N 23 119.700 119.206 0.494 1
1 207 . 5 1 1 A 24 24 ILE HA H 24 3.970 3.866 0.104 1
1 217 . 5 1 1 A 24 24 ILE CA C 24 62.400 64.011 -1.611 1
1 218 . 5 1 1 A 24 24 ILE CB C 24 37.700 37.563 0.137 1
1 222 . 5 1 1 A 25 25 ILE H H 25 8.950 8.007 0.943 1
1 223 . 5 1 1 A 25 25 ILE HA H 25 3.740 3.791 -0.051 1
1 233 . 5 1 1 A 25 25 ILE C C 25 175.200 174.097 1.103 1
1 234 . 5 1 1 A 25 25 ILE CA C 25 62.700 62.763 -0.063 1
1 235 . 5 1 1 A 25 25 ILE CB C 25 38.200 36.407 1.793 1
1 239 . 5 1 1 A 25 25 ILE N N 25 124.800 119.483 5.317 1
1 240 . 5 1 1 A 26 26 ARG H H 26 8.040 7.930 0.110 1
1 241 . 5 1 1 A 26 26 ARG HA H 26 4.140 4.622 -0.482 1
1 248 . 5 1 1 A 26 26 ARG C C 26 175.900 176.005 -0.105 1
1 249 . 5 1 1 A 26 26 ARG CA C 26 55.300 54.971 0.329 1
1 250 . 5 1 1 A 26 26 ARG CB C 26 31.100 32.280 -1.180 1
1 253 . 5 1 1 A 26 26 ARG N N 26 128.100 122.727 5.373 1
1 254 . 5 1 1 A 27 27 GLU H H 27 8.560 9.185 -0.625 1
1 255 . 5 1 1 A 27 27 GLU HA H 27 4.030 4.099 -0.069 1
1 260 . 5 1 1 A 27 27 GLU C C 27 176.300 177.200 -0.900 1
1 261 . 5 1 1 A 27 27 GLU CA C 27 57.000 57.364 -0.364 1
1 262 . 5 1 1 A 27 27 GLU CB C 27 30.000 28.759 1.241 1
1 264 . 5 1 1 A 27 27 GLU N N 27 123.500 125.702 -2.202 1
1 265 . 5 1 1 A 28 28 GLY H H 28 8.420 8.251 0.169 1
1 266 . 5 1 1 A 28 28 GLY HA2 H 28 4.050 3.957 0.093 1
1 267 . 5 1 1 A 28 28 GLY HA3 H 28 4.220 3.960 0.260 1
1 268 . 5 1 1 A 28 28 GLY C C 28 174.000 173.157 0.843 1
1 269 . 5 1 1 A 28 28 GLY CA C 28 45.400 45.346 0.054 1
1 270 . 5 1 1 A 28 28 GLY N N 28 108.300 107.299 1.001 1
1 271 . 5 1 1 A 29 29 ASP H H 29 8.690 7.990 0.700 1
1 272 . 5 1 1 A 29 29 ASP HA H 29 4.430 4.366 0.064 1
1 275 . 5 1 1 A 29 29 ASP C C 29 175.200 175.317 -0.117 1
1 276 . 5 1 1 A 29 29 ASP CA C 29 56.300 55.959 0.341 1
1 277 . 5 1 1 A 29 29 ASP CB C 29 40.300 39.106 1.194 1
1 278 . 5 1 1 A 29 29 ASP N N 29 119.800 114.290 5.510 1
1 279 . 5 1 1 A 30 30 ASP H H 30 8.630 8.032 0.598 1
1 280 . 5 1 1 A 30 30 ASP HA H 30 4.260 4.896 -0.636 1
1 283 . 5 1 1 A 30 30 ASP C C 30 174.300 175.738 -1.438 1
1 284 . 5 1 1 A 30 30 ASP CA C 30 52.600 53.450 -0.850 1
1 285 . 5 1 1 A 30 30 ASP CB C 30 39.200 41.594 -2.394 1
1 286 . 5 1 1 A 30 30 ASP N N 30 114.900 114.637 0.263 1
1 287 . 5 1 1 A 31 31 VAL H H 31 7.550 7.595 -0.045 1
1 288 . 5 1 1 A 31 31 VAL HA H 31 5.300 4.900 0.400 1
1 296 . 5 1 1 A 31 31 VAL C C 31 175.800 174.906 0.894 1
1 297 . 5 1 1 A 31 31 VAL CA C 31 60.700 60.697 0.003 1
1 298 . 5 1 1 A 31 31 VAL CB C 31 35.000 34.526 0.474 1
1 301 . 5 1 1 A 31 31 VAL N N 31 120.500 119.738 0.762 1
1 302 . 5 1 1 A 32 32 ALA H H 32 9.580 9.818 -0.238 1
1 303 . 5 1 1 A 32 32 ALA HA H 32 5.030 5.297 -0.267 1
1 307 . 5 1 1 A 32 32 ALA C C 32 175.800 175.867 -0.067 1
1 308 . 5 1 1 A 32 32 ALA CA C 32 50.000 50.777 -0.777 1
1 309 . 5 1 1 A 32 32 ALA CB C 32 22.800 21.791 1.009 1
1 310 . 5 1 1 A 32 32 ALA N N 32 130.500 130.383 0.117 1
1 311 . 5 1 1 A 33 33 GLU H H 33 9.270 8.905 0.365 1
1 312 . 5 1 1 A 33 33 GLU HA H 33 5.140 5.146 -0.006 1
1 317 . 5 1 1 A 33 33 GLU C C 33 175.900 175.400 0.500 1
1 318 . 5 1 1 A 33 33 GLU CA C 33 55.300 55.243 0.057 1
1 319 . 5 1 1 A 33 33 GLU CB C 33 31.500 32.663 -1.163 1
1 321 . 5 1 1 A 33 33 GLU N N 33 124.500 121.691 2.809 1
1 322 . 5 1 1 A 34 34 VAL H H 34 9.140 9.030 0.110 1
1 323 . 5 1 1 A 34 34 VAL HA H 34 4.580 5.011 -0.431 1
1 331 . 5 1 1 A 34 34 VAL C C 34 174.300 175.204 -0.904 1
1 332 . 5 1 1 A 34 34 VAL CA C 34 60.800 60.777 0.023 1
1 333 . 5 1 1 A 34 34 VAL CB C 34 35.700 34.838 0.862 1
1 336 . 5 1 1 A 34 34 VAL N N 34 124.700 127.048 -2.348 1
1 337 . 5 1 1 A 35 35 SER H H 35 8.450 9.087 -0.637 1
1 338 . 5 1 1 A 35 35 SER HA H 35 5.060 5.499 -0.439 1
1 341 . 5 1 1 A 35 35 SER C C 35 172.100 171.964 0.136 1
1 342 . 5 1 1 A 35 35 SER CA C 35 56.900 56.672 0.228 1
1 343 . 5 1 1 A 35 35 SER CB C 35 64.800 65.845 -1.045 1
1 344 . 5 1 1 A 35 35 SER N N 35 122.100 121.544 0.556 1
1 345 . 5 1 1 A 36 36 LEU H H 36 8.540 8.791 -0.251 1
1 346 . 5 1 1 A 36 36 LEU HA H 36 4.570 5.296 -0.726 1
1 356 . 5 1 1 A 36 36 LEU C C 36 174.200 174.014 0.186 1
1 357 . 5 1 1 A 36 36 LEU CA C 36 52.600 52.809 -0.209 1
1 358 . 5 1 1 A 36 36 LEU CB C 36 45.600 45.460 0.140 1
1 362 . 5 1 1 A 36 36 LEU N N 36 123.600 126.125 -2.525 1
1 363 . 5 1 1 A 37 37 PHE H H 37 8.400 8.958 -0.558 1
1 364 . 5 1 1 A 37 37 PHE HA H 37 5.300 5.232 0.068 1
1 369 . 5 1 1 A 37 37 PHE C C 37 175.600 174.369 1.231 1
1 370 . 5 1 1 A 37 37 PHE CA C 37 56.300 55.675 0.625 1
1 371 . 5 1 1 A 37 37 PHE CB C 37 42.000 41.507 0.493 1
1 374 . 5 1 1 A 37 37 PHE N N 37 118.300 127.831 -9.531 1
1 375 . 5 1 1 A 38 38 GLY H H 38 8.340 7.673 0.667 1
1 376 . 5 1 1 A 38 38 GLY HA2 H 38 3.750 3.898 -0.148 1
1 377 . 5 1 1 A 38 38 GLY HA3 H 38 4.210 4.085 0.125 1
1 378 . 5 1 1 A 38 38 GLY CA C 38 45.600 45.598 0.002 1
1 379 . 5 1 1 A 38 38 GLY N N 38 109.300 112.400 -3.100 1
1 380 . 5 1 1 A 39 39 SER HA H 39 4.210 4.309 -0.099 1
1 383 . 5 1 1 A 39 39 SER C C 39 173.700 173.535 0.165 1
1 384 . 5 1 1 A 39 39 SER CA C 39 60.100 57.055 3.045 1
1 385 . 5 1 1 A 39 39 SER CB C 39 63.900 64.103 -0.203 1
1 386 . 5 1 1 A 40 40 ASP H H 40 7.670 8.496 -0.826 1
1 387 . 5 1 1 A 40 40 ASP HA H 40 4.810 4.665 0.145 1
1 390 . 5 1 1 A 40 40 ASP C C 40 175.500 176.705 -1.205 1
1 391 . 5 1 1 A 40 40 ASP CA C 40 52.900 53.532 -0.632 1
1 392 . 5 1 1 A 40 40 ASP CB C 40 41.300 41.997 -0.697 1
1 393 . 5 1 1 A 40 40 ASP N N 40 115.800 121.361 -5.561 1
1 394 . 5 1 1 A 41 41 LYS H H 41 8.260 8.614 -0.354 1
1 395 . 5 1 1 A 41 41 LYS HA H 41 3.780 3.906 -0.126 1
1 404 . 5 1 1 A 41 41 LYS C C 41 177.100 178.313 -1.213 1
1 405 . 5 1 1 A 41 41 LYS CA C 41 60.500 59.221 1.279 1
1 406 . 5 1 1 A 41 41 LYS CB C 41 33.400 31.974 1.426 1
1 410 . 5 1 1 A 41 41 LYS N N 41 120.200 121.011 -0.811 1
1 411 . 5 1 1 A 42 42 ALA H H 42 8.420 7.973 0.447 1
1 412 . 5 1 1 A 42 42 ALA HA H 42 4.180 4.152 0.028 1
1 416 . 5 1 1 A 42 42 ALA C C 42 181.900 179.830 2.070 1
1 417 . 5 1 1 A 42 42 ALA CA C 42 55.400 55.141 0.259 1
1 418 . 5 1 1 A 42 42 ALA CB C 42 17.700 18.701 -1.001 1
1 419 . 5 1 1 A 42 42 ALA N N 42 120.700 121.807 -1.107 1
1 420 . 5 1 1 A 43 43 HIS H H 43 8.490 7.811 0.679 1
1 421 . 5 1 1 A 43 43 HIS HA H 43 4.330 4.263 0.067 1
1 424 . 5 1 1 A 43 43 HIS C C 43 178.800 177.096 1.704 1
1 425 . 5 1 1 A 43 43 HIS CA C 43 59.600 59.787 -0.187 1
1 426 . 5 1 1 A 43 43 HIS CB C 43 30.300 29.784 0.516 1
1 427 . 5 1 1 A 43 43 HIS N N 43 118.000 118.124 -0.124 1
1 428 . 5 1 1 A 44 44 LEU H H 44 8.340 8.133 0.207 1
1 429 . 5 1 1 A 44 44 LEU HA H 44 3.750 3.745 0.005 1
1 439 . 5 1 1 A 44 44 LEU C C 44 178.500 179.132 -0.632 1
1 440 . 5 1 1 A 44 44 LEU CA C 44 58.200 57.900 0.300 1
1 441 . 5 1 1 A 44 44 LEU CB C 44 42.100 41.284 0.816 1
1 445 . 5 1 1 A 44 44 LEU N N 44 121.500 119.074 2.426 1
1 446 . 5 1 1 A 45 45 GLU H H 45 8.880 8.492 0.388 1
1 447 . 5 1 1 A 45 45 GLU HA H 45 3.750 4.011 -0.261 1
1 452 . 5 1 1 A 45 45 GLU C C 45 180.200 179.988 0.212 1
1 453 . 5 1 1 A 45 45 GLU CA C 45 60.000 59.442 0.558 1
1 454 . 5 1 1 A 45 45 GLU CB C 45 29.000 28.978 0.022 1
1 456 . 5 1 1 A 45 45 GLU N N 45 118.300 118.327 -0.027 1
1 457 . 5 1 1 A 46 46 GLY H H 46 7.970 7.999 -0.029 1
1 458 . 5 1 1 A 46 46 GLY HA2 H 46 3.920 3.608 0.312 1
1 459 . 5 1 1 A 46 46 GLY HA3 H 46 3.920 3.676 0.244 1
1 460 . 5 1 1 A 46 46 GLY C C 46 176.500 175.918 0.582 1
1 461 . 5 1 1 A 46 46 GLY CA C 46 46.900 47.286 -0.386 1
1 462 . 5 1 1 A 46 46 GLY N N 46 108.100 109.538 -1.438 1
1 463 . 5 1 1 A 47 47 LYS H H 47 7.690 7.528 0.162 1
1 464 . 5 1 1 A 47 47 LYS HA H 47 4.320 4.382 -0.062 1
1 473 . 5 1 1 A 47 47 LYS C C 47 179.400 179.398 0.002 1
1 474 . 5 1 1 A 47 47 LYS CA C 47 58.400 58.749 -0.349 1
1 475 . 5 1 1 A 47 47 LYS CB C 47 32.100 32.106 -0.006 1
1 479 . 5 1 1 A 47 47 LYS N N 47 122.400 122.321 0.079 1
1 480 . 5 1 1 A 48 48 LEU H H 48 8.550 8.146 0.404 1
1 481 . 5 1 1 A 48 48 LEU HA H 48 3.980 3.989 -0.009 1
1 491 . 5 1 1 A 48 48 LEU C C 48 178.300 178.183 0.117 1
1 492 . 5 1 1 A 48 48 LEU CA C 48 57.900 57.621 0.279 1
1 493 . 5 1 1 A 48 48 LEU CB C 48 40.800 41.336 -0.536 1
1 497 . 5 1 1 A 48 48 LEU N N 48 120.600 121.831 -1.231 1
1 498 . 5 1 1 A 49 49 ALA H H 49 7.810 8.091 -0.281 1
1 499 . 5 1 1 A 49 49 ALA HA H 49 4.000 3.956 0.044 1
1 503 . 5 1 1 A 49 49 ALA C C 49 180.400 180.023 0.377 1
1 504 . 5 1 1 A 49 49 ALA CA C 49 55.600 55.449 0.151 1
1 505 . 5 1 1 A 49 49 ALA CB C 49 17.900 18.259 -0.359 1
1 506 . 5 1 1 A 49 49 ALA N N 49 120.000 120.544 -0.544 1
1 507 . 5 1 1 A 50 50 GLU H H 50 7.520 8.036 -0.516 1
1 508 . 5 1 1 A 50 50 GLU HA H 50 4.130 4.060 0.070 1
1 513 . 5 1 1 A 50 50 GLU C C 50 179.600 179.210 0.390 1
1 514 . 5 1 1 A 50 50 GLU CA C 50 59.200 59.005 0.195 1
1 515 . 5 1 1 A 50 50 GLU CB C 50 29.800 29.480 0.320 1
1 517 . 5 1 1 A 50 50 GLU N N 50 117.300 119.021 -1.721 1
1 518 . 5 1 1 A 51 51 TYR H H 51 7.860 7.967 -0.107 1
1 519 . 5 1 1 A 51 51 TYR HA H 51 3.900 4.328 -0.428 1
1 526 . 5 1 1 A 51 51 TYR C C 51 177.900 178.465 -0.565 1
1 527 . 5 1 1 A 51 51 TYR CA C 51 62.400 60.815 1.585 1
1 528 . 5 1 1 A 51 51 TYR CB C 51 38.200 38.176 0.024 1
1 533 . 5 1 1 A 51 51 TYR N N 51 120.300 119.679 0.621 1
1 534 . 5 1 1 A 52 52 ILE H H 52 8.590 8.501 0.089 1
1 535 . 5 1 1 A 52 52 ILE HA H 52 3.420 3.707 -0.287 1
1 545 . 5 1 1 A 52 52 ILE C C 52 177.400 178.040 -0.640 1
1 546 . 5 1 1 A 52 52 ILE CA C 52 66.200 65.238 0.962 1
1 547 . 5 1 1 A 52 52 ILE CB C 52 38.200 37.880 0.320 1
1 551 . 5 1 1 A 52 52 ILE N N 52 120.100 120.754 -0.654 1
1 552 . 5 1 1 A 53 53 SER H H 53 7.860 7.998 -0.138 1
1 553 . 5 1 1 A 53 53 SER HA H 53 4.080 4.091 -0.011 1
1 556 . 5 1 1 A 53 53 SER C C 53 177.700 176.449 1.251 1
1 557 . 5 1 1 A 53 53 SER CA C 53 61.800 62.366 -0.566 1
1 558 . 5 1 1 A 53 53 SER CB C 53 62.600 62.929 -0.329 1
1 559 . 5 1 1 A 53 53 SER N N 53 113.100 115.994 -2.894 1
1 560 . 5 1 1 A 54 54 LEU H H 54 7.610 7.994 -0.384 1
1 561 . 5 1 1 A 54 54 LEU HA H 54 4.090 4.132 -0.042 1
1 571 . 5 1 1 A 54 54 LEU C C 54 178.600 179.094 -0.494 1
1 572 . 5 1 1 A 54 54 LEU CA C 54 58.000 57.609 0.391 1
1 573 . 5 1 1 A 54 54 LEU CB C 54 42.200 41.346 0.854 1
1 577 . 5 1 1 A 54 54 LEU N N 54 121.200 121.578 -0.378 1
1 578 . 5 1 1 A 55 55 ALA H H 55 8.640 8.310 0.330 1
1 579 . 5 1 1 A 55 55 ALA HA H 55 3.860 3.774 0.086 1
1 583 . 5 1 1 A 55 55 ALA C C 55 179.100 179.119 -0.019 1
1 584 . 5 1 1 A 55 55 ALA CA C 55 56.200 55.546 0.654 1
1 585 . 5 1 1 A 55 55 ALA CB C 55 19.000 18.400 0.600 1
1 586 . 5 1 1 A 55 55 ALA N N 55 121.900 121.956 -0.056 1
1 587 . 5 1 1 A 56 56 LYS H H 56 8.120 7.718 0.402 1
1 588 . 5 1 1 A 56 56 LYS HA H 56 4.220 4.106 0.114 1
1 597 . 5 1 1 A 56 56 LYS C C 56 178.800 177.910 0.890 1
1 598 . 5 1 1 A 56 56 LYS CA C 56 58.300 59.645 -1.345 1
1 599 . 5 1 1 A 56 56 LYS CB C 56 32.900 32.165 0.735 1
1 603 . 5 1 1 A 56 56 LYS N N 56 115.600 118.602 -3.002 1
1 604 . 5 1 1 A 57 57 GLN H H 57 7.590 7.765 -0.175 1
1 605 . 5 1 1 A 57 57 GLN HA H 57 4.010 4.118 -0.108 1
1 612 . 5 1 1 A 57 57 GLN C C 57 178.300 178.560 -0.260 1
1 613 . 5 1 1 A 57 57 GLN CA C 57 58.400 58.831 -0.431 1
1 614 . 5 1 1 A 57 57 GLN CB C 57 28.600 28.268 0.332 1
1 617 . 5 1 1 A 57 57 GLN N N 57 117.900 118.763 -0.863 1
1 619 . 5 1 1 A 58 58 VAL H H 58 7.650 7.853 -0.203 1
1 620 . 5 1 1 A 58 58 VAL HA H 58 3.750 3.821 -0.071 1
1 628 . 5 1 1 A 58 58 VAL C C 58 176.400 175.857 0.543 1
1 629 . 5 1 1 A 58 58 VAL CA C 58 65.500 66.008 -0.508 1
1 630 . 5 1 1 A 58 58 VAL CB C 58 32.000 32.249 -0.249 1
1 633 . 5 1 1 A 58 58 VAL N N 58 120.200 119.750 0.450 1
1 634 . 5 1 1 A 59 59 TYR H H 59 8.700 8.185 0.515 1
1 635 . 5 1 1 A 59 59 TYR HA H 59 5.040 4.890 0.150 1
1 642 . 5 1 1 A 59 59 TYR C C 59 174.100 176.459 -2.359 1
1 643 . 5 1 1 A 59 59 TYR CA C 59 55.500 57.084 -1.584 1
1 644 . 5 1 1 A 59 59 TYR CB C 59 40.500 41.558 -1.058 1
1 649 . 5 1 1 A 59 59 TYR N N 59 120.400 119.683 0.717 1
1 650 . 5 1 1 A 60 60 ALA H H 60 8.900 8.381 0.519 1
1 651 . 5 1 1 A 60 60 ALA HA H 60 4.230 3.852 0.378 1
1 655 . 5 1 1 A 60 60 ALA CA C 60 55.400 54.936 0.464 1
1 656 . 5 1 1 A 60 60 ALA CB C 60 18.100 18.577 -0.477 1
1 657 . 5 1 1 A 60 60 ALA N N 60 131.000 128.871 2.129 1
1 658 . 5 1 1 A 61 61 ASN H H 61 5.430 7.668 -2.238 1
1 659 . 5 1 1 A 61 61 ASN HA H 61 4.760 4.784 -0.024 1
1 664 . 5 1 1 A 61 61 ASN C C 61 173.200 174.119 -0.919 1
1 665 . 5 1 1 A 61 61 ASN CA C 61 51.800 52.753 -0.953 1
1 666 . 5 1 1 A 61 61 ASN CB C 61 37.600 38.221 -0.621 1
1 668 . 5 1 1 A 61 61 ASN N N 61 111.100 115.830 -4.730 1
1 670 . 5 1 1 A 62 62 VAL H H 62 6.870 8.555 -1.685 1
1 671 . 5 1 1 A 62 62 VAL HA H 62 3.730 4.956 -1.226 1
1 679 . 5 1 1 A 62 62 VAL C C 62 172.400 174.114 -1.714 1
1 680 . 5 1 1 A 62 62 VAL CA C 62 62.500 60.171 2.329 1
1 681 . 5 1 1 A 62 62 VAL CB C 62 31.300 34.025 -2.725 1
1 684 . 5 1 1 A 62 62 VAL N N 62 120.400 127.310 -6.910 1
1 685 . 5 1 1 A 63 63 GLU H H 63 7.360 8.696 -1.336 1
1 686 . 5 1 1 A 63 63 GLU HA H 63 4.590 5.058 -0.468 1
1 691 . 5 1 1 A 63 63 GLU C C 63 174.500 174.874 -0.374 1
1 692 . 5 1 1 A 63 63 GLU CA C 63 54.000 54.697 -0.697 1
1 693 . 5 1 1 A 63 63 GLU CB C 63 32.700 32.508 0.192 1
1 695 . 5 1 1 A 63 63 GLU N N 63 126.500 129.544 -3.044 1
1 696 . 5 1 1 A 64 64 TYR H H 64 8.300 8.373 -0.073 1
1 697 . 5 1 1 A 64 64 TYR HA H 64 5.400 5.296 0.104 1
1 704 . 5 1 1 A 64 64 TYR C C 64 173.400 172.206 1.194 1
1 705 . 5 1 1 A 64 64 TYR CA C 64 54.800 55.813 -1.013 1
1 706 . 5 1 1 A 64 64 TYR CB C 64 41.800 41.291 0.509 1
1 711 . 5 1 1 A 64 64 TYR N N 64 118.800 121.183 -2.383 1
1 712 . 5 1 1 A 65 65 GLU H H 65 8.470 8.202 0.268 1
1 713 . 5 1 1 A 65 65 GLU HA H 65 4.440 4.601 -0.161 1
1 718 . 5 1 1 A 65 65 GLU C C 65 173.800 174.289 -0.489 1
1 719 . 5 1 1 A 65 65 GLU CA C 65 54.600 55.129 -0.529 1
1 720 . 5 1 1 A 65 65 GLU CB C 65 35.000 33.700 1.300 1
1 722 . 5 1 1 A 65 65 GLU N N 65 121.300 120.143 1.157 1
1 723 . 5 1 1 A 66 66 VAL H H 66 8.780 8.990 -0.210 1
1 724 . 5 1 1 A 66 66 VAL HA H 66 4.600 4.884 -0.284 1
1 732 . 5 1 1 A 66 66 VAL C C 66 175.900 175.927 -0.027 1
1 733 . 5 1 1 A 66 66 VAL CA C 66 60.800 61.193 -0.393 1
1 734 . 5 1 1 A 66 66 VAL CB C 66 33.800 33.337 0.463 1
1 737 . 5 1 1 A 66 66 VAL N N 66 126.000 126.490 -0.490 1
1 738 . 5 1 1 A 67 67 ALA H H 67 8.400 8.506 -0.106 1
1 739 . 5 1 1 A 67 67 ALA HA H 67 4.390 4.652 -0.262 1
1 743 . 5 1 1 A 67 67 ALA CA C 67 51.100 51.058 0.042 1
1 744 . 5 1 1 A 67 67 ALA CB C 67 16.800 18.572 -1.772 1
1 745 . 5 1 1 A 67 67 ALA N N 67 132.400 130.856 1.544 1
1 746 . 5 1 1 A 68 68 PRO HA H 68 4.260 4.574 -0.314 1
1 753 . 5 1 1 A 68 68 PRO C C 68 176.400 176.036 0.364 1
1 754 . 5 1 1 A 68 68 PRO CA C 68 63.800 63.157 0.643 1
1 755 . 5 1 1 A 68 68 PRO CB C 68 31.800 32.373 -0.573 1
1 758 . 5 1 1 A 69 69 VAL H H 69 8.240 8.604 -0.364 1
1 759 . 5 1 1 A 69 69 VAL HA H 69 4.360 4.702 -0.342 1
1 767 . 5 1 1 A 69 69 VAL C C 69 175.500 175.960 -0.460 1
1 768 . 5 1 1 A 69 69 VAL CA C 69 60.500 60.806 -0.306 1
1 769 . 5 1 1 A 69 69 VAL CB C 69 34.200 35.556 -1.356 1
1 772 . 5 1 1 A 69 69 VAL N N 69 121.600 123.373 -1.773 1
1 773 . 5 1 1 A 70 70 ALA H H 70 8.630 8.501 0.129 1
1 774 . 5 1 1 A 70 70 ALA HA H 70 4.370 4.553 -0.183 1
1 778 . 5 1 1 A 70 70 ALA C C 70 178.100 177.445 0.655 1
1 779 . 5 1 1 A 70 70 ALA CA C 70 51.700 51.843 -0.143 1
1 780 . 5 1 1 A 70 70 ALA CB C 70 19.700 18.277 1.423 1
1 781 . 5 1 1 A 70 70 ALA N N 70 128.800 130.237 -1.437 1
1 782 . 5 1 1 A 71 71 ASP H H 71 8.640 8.411 0.229 1
1 783 . 5 1 1 A 71 71 ASP HA H 71 4.330 4.472 -0.142 1
1 786 . 5 1 1 A 71 71 ASP C C 71 177.000 176.362 0.638 1
1 787 . 5 1 1 A 71 71 ASP CA C 71 57.300 56.925 0.375 1
1 788 . 5 1 1 A 71 71 ASP CB C 71 40.300 40.417 -0.117 1
1 789 . 5 1 1 A 71 71 ASP N N 71 118.900 116.614 2.286 1
1 790 . 5 1 1 A 72 72 ASN H H 72 8.100 9.108 -1.008 1
1 791 . 5 1 1 A 72 72 ASN HA H 72 4.810 4.653 0.157 1
1 796 . 5 1 1 A 72 72 ASN C C 72 175.300 176.169 -0.869 1
1 797 . 5 1 1 A 72 72 ASN CA C 72 51.900 52.782 -0.882 1
1 798 . 5 1 1 A 72 72 ASN CB C 72 37.400 38.240 -0.840 1
1 800 . 5 1 1 A 72 72 ASN N N 72 114.800 117.338 -2.538 1
1 802 . 5 1 1 A 73 73 ALA H H 73 7.580 7.685 -0.105 1
1 803 . 5 1 1 A 73 73 ALA HA H 73 4.230 4.146 0.084 1
1 807 . 5 1 1 A 73 73 ALA C C 73 176.300 177.803 -1.503 1
1 808 . 5 1 1 A 73 73 ALA CA C 73 53.200 53.281 -0.081 1
1 809 . 5 1 1 A 73 73 ALA CB C 73 21.000 19.219 1.781 1
1 810 . 5 1 1 A 73 73 ALA N N 73 123.400 122.063 1.337 1
1 811 . 5 1 1 A 74 74 THR H H 74 8.220 8.012 0.208 1
1 812 . 5 1 1 A 74 74 THR HA H 74 4.560 4.070 0.490 1
1 817 . 5 1 1 A 74 74 THR C C 74 174.100 173.158 0.942 1
1 818 . 5 1 1 A 74 74 THR CA C 74 60.200 63.357 -3.157 1
1 819 . 5 1 1 A 74 74 THR CB C 74 69.900 66.660 3.240 1
1 821 . 5 1 1 A 74 74 THR N N 74 104.600 110.458 -5.858 1
1 822 . 5 1 1 A 75 75 GLU H H 75 7.310 7.707 -0.397 1
1 823 . 5 1 1 A 75 75 GLU HA H 75 5.190 4.990 0.200 1
1 828 . 5 1 1 A 75 75 GLU C C 75 173.600 173.743 -0.143 1
1 829 . 5 1 1 A 75 75 GLU CA C 75 54.100 55.713 -1.613 1
1 830 . 5 1 1 A 75 75 GLU CB C 75 34.100 33.310 0.790 1
1 832 . 5 1 1 A 75 75 GLU N N 75 119.100 121.209 -2.109 1
1 833 . 5 1 1 A 76 76 LEU H H 76 8.400 8.722 -0.322 1
1 834 . 5 1 1 A 76 76 LEU HA H 76 4.650 5.139 -0.489 1
1 844 . 5 1 1 A 76 76 LEU C C 76 174.100 173.981 0.119 1
1 845 . 5 1 1 A 76 76 LEU CA C 76 54.200 53.326 0.874 1
1 846 . 5 1 1 A 76 76 LEU CB C 76 47.400 46.042 1.358 1
1 850 . 5 1 1 A 76 76 LEU N N 76 122.600 125.188 -2.588 1
1 851 . 5 1 1 A 77 77 HIS H H 77 9.340 8.912 0.428 1
1 852 . 5 1 1 A 77 77 HIS HA H 77 5.440 5.132 0.308 1
1 855 . 5 1 1 A 77 77 HIS C C 77 172.700 174.763 -2.063 1
1 856 . 5 1 1 A 77 77 HIS CA C 77 54.400 55.001 -0.601 1
1 857 . 5 1 1 A 77 77 HIS CB C 77 31.700 31.488 0.212 1
1 858 . 5 1 1 A 77 77 HIS N N 77 123.500 125.046 -1.546 1
1 859 . 5 1 1 A 78 78 ALA H H 78 9.190 8.979 0.211 1
1 860 . 5 1 1 A 78 78 ALA HA H 78 5.620 5.200 0.420 1
1 864 . 5 1 1 A 78 78 ALA C C 78 175.600 175.476 0.124 1
1 865 . 5 1 1 A 78 78 ALA CA C 78 50.300 50.791 -0.491 1
1 866 . 5 1 1 A 78 78 ALA CB C 78 24.100 23.846 0.254 1
1 867 . 5 1 1 A 78 78 ALA N N 78 124.800 124.459 0.341 1
1 868 . 5 1 1 A 79 79 ARG H H 79 8.680 8.461 0.219 1
1 869 . 5 1 1 A 79 79 ARG HA H 79 5.230 5.451 -0.221 1
1 874 . 5 1 1 A 79 79 ARG C C 79 173.900 174.724 -0.824 1
1 875 . 5 1 1 A 79 79 ARG CA C 79 55.300 54.480 0.820 1
1 876 . 5 1 1 A 79 79 ARG CB C 79 34.400 34.338 0.062 1
1 879 . 5 1 1 A 79 79 ARG N N 79 119.100 119.960 -0.860 1
1 880 . 5 1 1 A 80 80 PHE H H 80 8.970 8.924 0.046 1
1 881 . 5 1 1 A 80 80 PHE HA H 80 4.720 5.045 -0.325 1
1 889 . 5 1 1 A 80 80 PHE C C 80 172.700 173.923 -1.223 1
1 890 . 5 1 1 A 80 80 PHE CA C 80 56.300 56.295 0.005 1
1 891 . 5 1 1 A 80 80 PHE CB C 80 42.600 43.732 -1.132 1
1 897 . 5 1 1 A 80 80 PHE N N 80 119.200 121.082 -1.882 1
1 898 . 5 1 1 A 81 81 LYS H H 81 9.350 8.343 1.007 1
1 899 . 5 1 1 A 81 81 LYS HA H 81 4.800 5.122 -0.322 1
1 908 . 5 1 1 A 81 81 LYS C C 81 174.500 174.509 -0.009 1
1 909 . 5 1 1 A 81 81 LYS CA C 81 55.600 54.633 0.967 1
1 910 . 5 1 1 A 81 81 LYS CB C 81 35.200 35.121 0.079 1
1 914 . 5 1 1 A 81 81 LYS N N 81 124.500 122.253 2.247 1
1 915 . 5 1 1 A 82 82 PHE H H 82 8.840 8.559 0.281 1
1 916 . 5 1 1 A 82 82 PHE HA H 82 4.550 4.602 -0.052 1
1 924 . 5 1 1 A 82 82 PHE C C 82 173.200 176.011 -2.811 1
1 925 . 5 1 1 A 82 82 PHE CA C 82 57.800 56.110 1.690 1
1 926 . 5 1 1 A 82 82 PHE CB C 82 40.100 42.579 -2.479 1
1 932 . 5 1 1 A 82 82 PHE N N 82 127.900 124.634 3.266 1
1 933 . 5 1 1 A 83 83 GLU H H 83 7.590 8.564 -0.974 1
1 934 . 5 1 1 A 83 83 GLU HA H 83 4.120 4.140 -0.020 1
1 939 . 5 1 1 A 83 83 GLU C C 83 177.500 176.297 1.203 1
1 940 . 5 1 1 A 83 83 GLU CA C 83 58.900 58.374 0.526 1
1 941 . 5 1 1 A 83 83 GLU CB C 83 29.900 29.199 0.701 1
1 943 . 5 1 1 A 83 83 GLU N N 83 119.400 120.909 -1.509 1
1 944 . 5 1 1 A 84 84 VAL H H 84 7.470 7.504 -0.034 1
1 945 . 5 1 1 A 84 84 VAL HA H 84 4.770 4.635 0.135 1
1 953 . 5 1 1 A 84 84 VAL C C 84 177.100 175.609 1.491 1
1 954 . 5 1 1 A 84 84 VAL CA C 84 58.500 58.851 -0.351 1
1 955 . 5 1 1 A 84 84 VAL CB C 84 36.000 34.947 1.053 1
1 958 . 5 1 1 A 84 84 VAL N N 84 108.000 115.843 -7.843 1
1 959 . 5 1 1 A 85 85 SER H H 85 8.980 9.044 -0.064 1
1 960 . 5 1 1 A 85 85 SER HA H 85 4.160 4.292 -0.132 1
1 963 . 5 1 1 A 85 85 SER C C 85 176.900 176.523 0.377 1
1 964 . 5 1 1 A 85 85 SER CA C 85 61.200 60.975 0.225 1
1 965 . 5 1 1 A 85 85 SER CB C 85 62.600 63.167 -0.567 1
1 966 . 5 1 1 A 85 85 SER N N 85 120.300 119.568 0.732 1
1 967 . 5 1 1 A 86 86 ALA H H 86 8.370 8.138 0.232 1
1 968 . 5 1 1 A 86 86 ALA HA H 86 4.000 3.917 0.083 1
1 972 . 5 1 1 A 86 86 ALA C C 86 180.500 179.655 0.845 1
1 973 . 5 1 1 A 86 86 ALA CA C 86 55.600 55.342 0.258 1
1 974 . 5 1 1 A 86 86 ALA CB C 86 18.500 18.110 0.390 1
1 975 . 5 1 1 A 86 86 ALA N N 86 121.800 123.259 -1.459 1
1 976 . 5 1 1 A 87 87 GLU H H 87 6.920 7.825 -0.905 1
1 977 . 5 1 1 A 87 87 GLU HA H 87 3.640 3.910 -0.270 1
1 982 . 5 1 1 A 87 87 GLU C C 87 176.700 178.728 -2.028 1
1 983 . 5 1 1 A 87 87 GLU CA C 87 58.000 58.940 -0.940 1
1 984 . 5 1 1 A 87 87 GLU CB C 87 29.300 28.989 0.311 1
1 986 . 5 1 1 A 87 87 GLU N N 87 114.800 117.888 -3.088 1
1 987 . 5 1 1 A 88 88 LYS H H 88 6.520 7.666 -1.146 1
1 988 . 5 1 1 A 88 88 LYS HA H 88 3.140 3.682 -0.542 1
1 997 . 5 1 1 A 88 88 LYS C C 88 178.100 178.900 -0.800 1
1 998 . 5 1 1 A 88 88 LYS CA C 88 59.700 59.080 0.620 1
1 999 . 5 1 1 A 88 88 LYS CB C 88 32.300 32.096 0.204 1
1 1003 . 5 1 1 A 88 88 LYS N N 88 119.900 121.447 -1.547 1
1 1004 . 5 1 1 A 89 89 LEU H H 89 7.920 7.918 0.002 1
1 1005 . 5 1 1 A 89 89 LEU HA H 89 4.080 4.009 0.071 1
1 1015 . 5 1 1 A 89 89 LEU C C 89 179.900 179.257 0.643 1
1 1016 . 5 1 1 A 89 89 LEU CA C 89 58.000 57.919 0.081 1
1 1017 . 5 1 1 A 89 89 LEU CB C 89 41.500 41.748 -0.248 1
1 1021 . 5 1 1 A 89 89 LEU N N 89 118.200 118.679 -0.479 1
1 1022 . 5 1 1 A 90 90 ILE H H 90 7.570 7.658 -0.088 1
1 1023 . 5 1 1 A 90 90 ILE HA H 90 3.710 3.575 0.135 1
1 1033 . 5 1 1 A 90 90 ILE C C 90 178.000 178.233 -0.233 1
1 1034 . 5 1 1 A 90 90 ILE CA C 90 64.700 64.939 -0.239 1
1 1035 . 5 1 1 A 90 90 ILE CB C 90 37.600 37.638 -0.038 1
1 1039 . 5 1 1 A 90 90 ILE N N 90 120.400 119.461 0.939 1
1 1040 . 5 1 1 A 91 91 PHE H H 91 8.180 8.700 -0.520 1
1 1041 . 5 1 1 A 91 91 PHE HA H 91 3.920 3.864 0.056 1
1 1049 . 5 1 1 A 91 91 PHE C C 91 177.200 177.839 -0.639 1
1 1050 . 5 1 1 A 91 91 PHE CA C 91 61.600 61.643 -0.043 1
1 1051 . 5 1 1 A 91 91 PHE CB C 91 39.600 39.115 0.485 1
1 1057 . 5 1 1 A 91 91 PHE N N 91 120.100 120.127 -0.027 1
1 1058 . 5 1 1 A 92 92 GLU H H 92 8.470 8.430 0.040 1
1 1059 . 5 1 1 A 92 92 GLU HA H 92 3.620 4.014 -0.394 1
1 1064 . 5 1 1 A 92 92 GLU C C 92 179.100 178.978 0.122 1
1 1065 . 5 1 1 A 92 92 GLU CA C 92 60.100 58.660 1.440 1
1 1066 . 5 1 1 A 92 92 GLU CB C 92 29.300 29.298 0.002 1
1 1068 . 5 1 1 A 92 92 GLU N N 92 118.800 117.551 1.249 1
1 1069 . 5 1 1 A 93 93 LEU H H 93 7.980 8.090 -0.110 1
1 1070 . 5 1 1 A 93 93 LEU HA H 93 4.000 3.962 0.038 1
1 1080 . 5 1 1 A 93 93 LEU C C 93 180.600 178.394 2.206 1
1 1081 . 5 1 1 A 93 93 LEU CA C 93 58.300 57.958 0.342 1
1 1082 . 5 1 1 A 93 93 LEU CB C 93 41.700 41.656 0.044 1
1 1086 . 5 1 1 A 93 93 LEU N N 93 120.800 122.365 -1.565 1
1 1087 . 5 1 1 A 94 94 LYS H H 94 8.340 7.911 0.429 1
1 1088 . 5 1 1 A 94 94 LYS HA H 94 3.990 3.847 0.143 1
1 1097 . 5 1 1 A 94 94 LYS C C 94 179.600 179.326 0.274 1
1 1098 . 5 1 1 A 94 94 LYS CA C 94 59.200 59.295 -0.095 1
1 1099 . 5 1 1 A 94 94 LYS CB C 94 33.100 32.098 1.002 1
1 1103 . 5 1 1 A 94 94 LYS N N 94 119.300 118.690 0.610 1
1 1104 . 5 1 1 A 95 95 THR H H 95 8.100 7.680 0.420 1
1 1105 . 5 1 1 A 95 95 THR HA H 95 3.640 3.377 0.263 1
1 1110 . 5 1 1 A 95 95 THR C C 95 176.800 176.469 0.331 1
1 1111 . 5 1 1 A 95 95 THR CA C 95 63.800 65.241 -1.441 1
1 1112 . 5 1 1 A 95 95 THR CB C 95 68.900 67.584 1.316 1
1 1114 . 5 1 1 A 95 95 THR N N 95 109.700 112.255 -2.555 1
1 1115 . 5 1 1 A 96 96 ARG H H 96 7.570 7.940 -0.370 1
1 1116 . 5 1 1 A 96 96 ARG HA H 96 4.060 3.940 0.120 1
1 1124 . 5 1 1 A 96 96 ARG C C 96 178.300 177.886 0.414 1
1 1125 . 5 1 1 A 96 96 ARG CA C 96 59.500 59.557 -0.057 1
1 1126 . 5 1 1 A 96 96 ARG CB C 96 29.800 29.886 -0.086 1
1 1130 . 5 1 1 A 96 96 ARG N N 96 123.200 122.517 0.683 1
1 1132 . 5 1 1 A 97 97 ALA H H 97 7.520 7.518 0.002 1
1 1133 . 5 1 1 A 97 97 ALA HA H 97 4.130 4.061 0.069 1
1 1137 . 5 1 1 A 97 97 ALA C C 97 179.500 180.528 -1.028 1
1 1138 . 5 1 1 A 97 97 ALA CA C 97 54.100 54.932 -0.832 1
1 1139 . 5 1 1 A 97 97 ALA CB C 97 18.200 18.447 -0.247 1
1 1140 . 5 1 1 A 97 97 ALA N N 97 119.700 121.812 -2.112 1
1 1141 . 5 1 1 A 98 98 LEU H H 98 7.370 7.721 -0.351 1
1 1142 . 5 1 1 A 98 98 LEU HA H 98 4.070 4.044 0.026 1
1 1152 . 5 1 1 A 98 98 LEU C C 98 178.800 178.440 0.360 1
1 1153 . 5 1 1 A 98 98 LEU CA C 98 56.500 57.829 -1.329 1
1 1154 . 5 1 1 A 98 98 LEU CB C 98 41.700 41.281 0.419 1
1 1158 . 5 1 1 A 98 98 LEU N N 98 118.300 120.780 -2.480 1
1 1159 . 5 1 1 A 99 99 ALA H H 99 7.940 8.280 -0.340 1
1 1160 . 5 1 1 A 99 99 ALA HA H 99 4.250 4.134 0.116 1
1 1164 . 5 1 1 A 99 99 ALA C C 99 179.100 180.230 -1.130 1
1 1165 . 5 1 1 A 99 99 ALA CA C 99 53.600 55.145 -1.545 1
1 1166 . 5 1 1 A 99 99 ALA CB C 99 18.600 18.144 0.456 1
1 1167 . 5 1 1 A 99 99 ALA N N 99 122.100 120.585 1.515 1
1 1168 . 5 1 1 A 100 100 ARG H H 100 7.840 7.599 0.241 1
1 1169 . 5 1 1 A 100 100 ARG HA H 100 4.210 4.187 0.023 1
1 1176 . 5 1 1 A 100 100 ARG C C 100 177.100 175.798 1.302 1
1 1177 . 5 1 1 A 100 100 ARG CA C 100 57.100 57.885 -0.785 1
1 1178 . 5 1 1 A 100 100 ARG CB C 100 30.300 30.636 -0.336 1
1 1181 . 5 1 1 A 100 100 ARG N N 100 117.900 118.570 -0.670 1
1 1182 . 5 1 1 A 101 101 LEU H H 101 7.890 7.816 0.074 1
1 1183 . 5 1 1 A 101 101 LEU HA H 101 4.240 3.803 0.437 1
1 1193 . 5 1 1 A 101 101 LEU C C 101 177.800 176.039 1.761 1
1 1194 . 5 1 1 A 101 101 LEU CA C 101 55.700 55.989 -0.289 1
1 1195 . 5 1 1 A 101 101 LEU CB C 101 41.900 40.523 1.377 1
1 1199 . 5 1 1 A 101 101 LEU N N 101 120.800 119.645 1.155 1
1 1200 . 5 1 1 A 102 102 GLU H H 102 8.040 7.897 0.143 1
1 1201 . 5 1 1 A 102 102 GLU HA H 102 4.240 4.216 0.024 1
1 1206 . 5 1 1 A 102 102 GLU C C 102 176.500 176.331 0.169 1
1 1207 . 5 1 1 A 102 102 GLU CA C 102 56.600 56.875 -0.275 1
1 1208 . 5 1 1 A 102 102 GLU CB C 102 30.000 30.592 -0.592 1
1 1210 . 5 1 1 A 102 102 GLU N N 102 120.100 118.564 1.536 1
1 1211 . 5 1 1 A 103 103 HIS H H 103 8.200 8.580 -0.380 1
1 1212 . 5 1 1 A 103 103 HIS HA H 103 4.540 4.778 -0.238 1
1 1216 . 5 1 1 A 103 103 HIS CA C 103 56.100 57.239 -1.139 1
1 1217 . 5 1 1 A 103 103 HIS CB C 103 29.900 30.481 -0.581 1
1 1218 . 5 1 1 A 103 103 HIS N N 103 119.200 120.124 -0.924 1
1 1219 . 5 1 1 A 107 107 HIS HA H 107 4.560 4.739 -0.179 1
1 1222 . 5 1 1 A 107 107 HIS C C 107 173.800 175.378 -1.578 1
1 1223 . 5 1 1 A 107 107 HIS CA C 107 55.800 57.251 -1.451 1
1 1224 . 5 1 1 A 107 107 HIS CB C 107 29.900 31.230 -1.330 1
1 1 . 6 1 1 A 4 4 GLN HA H 4 4.360 3.983 0.377 1
1 7 . 6 1 1 A 4 4 GLN C C 4 176.100 176.742 -0.642 1
1 8 . 6 1 1 A 4 4 GLN CA C 4 56.000 58.606 -2.606 1
1 9 . 6 1 1 A 4 4 GLN CB C 4 29.300 28.981 0.319 1
1 11 . 6 1 1 A 5 5 THR H H 5 8.280 7.886 0.394 1
1 12 . 6 1 1 A 5 5 THR HA H 5 4.320 3.953 0.367 1
1 17 . 6 1 1 A 5 5 THR C C 5 174.300 174.258 0.042 1
1 18 . 6 1 1 A 5 5 THR CA C 5 62.200 64.771 -2.571 1
1 19 . 6 1 1 A 5 5 THR CB C 5 69.600 67.485 2.115 1
1 21 . 6 1 1 A 5 5 THR N N 5 115.700 113.560 2.140 1
1 22 . 6 1 1 A 6 6 CYS H H 6 8.410 8.447 -0.037 1
1 23 . 6 1 1 A 6 6 CYS HA H 6 4.540 4.769 -0.229 1
1 26 . 6 1 1 A 6 6 CYS C C 6 174.400 173.762 0.638 1
1 27 . 6 1 1 A 6 6 CYS CA C 6 58.200 57.969 0.231 1
1 28 . 6 1 1 A 6 6 CYS CB C 6 27.800 28.403 -0.603 1
1 29 . 6 1 1 A 6 6 CYS N N 6 121.900 120.978 0.922 1
1 30 . 6 1 1 A 7 7 VAL H H 7 8.290 8.663 -0.373 1
1 31 . 6 1 1 A 7 7 VAL HA H 7 4.090 4.395 -0.305 1
1 39 . 6 1 1 A 7 7 VAL C C 7 176.100 176.535 -0.435 1
1 40 . 6 1 1 A 7 7 VAL CA C 7 62.400 61.119 1.281 1
1 41 . 6 1 1 A 7 7 VAL CB C 7 32.500 31.633 0.867 1
1 44 . 6 1 1 A 7 7 VAL N N 7 122.700 126.176 -3.476 1
1 45 . 6 1 1 A 8 8 GLU H H 8 8.510 9.132 -0.622 1
1 46 . 6 1 1 A 8 8 GLU HA H 8 4.240 4.000 0.240 1
1 51 . 6 1 1 A 8 8 GLU C C 8 176.100 176.313 -0.213 1
1 52 . 6 1 1 A 8 8 GLU CA C 8 56.900 57.179 -0.279 1
1 53 . 6 1 1 A 8 8 GLU CB C 8 30.100 28.264 1.836 1
1 55 . 6 1 1 A 8 8 GLU N N 8 124.300 125.965 -1.665 1
1 56 . 6 1 1 A 9 9 ASN H H 9 8.390 8.332 0.058 1
1 57 . 6 1 1 A 9 9 ASN HA H 9 4.650 4.520 0.130 1
1 62 . 6 1 1 A 9 9 ASN C C 9 174.900 175.782 -0.882 1
1 63 . 6 1 1 A 9 9 ASN CA C 9 53.400 55.514 -2.114 1
1 64 . 6 1 1 A 9 9 ASN CB C 9 39.000 38.454 0.546 1
1 66 . 6 1 1 A 9 9 ASN N N 9 119.300 117.389 1.911 1
1 68 . 6 1 1 A 10 10 GLU H H 10 8.330 8.061 0.269 1
1 69 . 6 1 1 A 10 10 GLU HA H 10 4.250 4.112 0.138 1
1 74 . 6 1 1 A 10 10 GLU C C 10 176.400 175.247 1.153 1
1 75 . 6 1 1 A 10 10 GLU CA C 10 56.800 58.394 -1.594 1
1 76 . 6 1 1 A 10 10 GLU CB C 10 30.200 28.190 2.010 1
1 78 . 6 1 1 A 10 10 GLU N N 10 121.400 117.408 3.992 1
1 79 . 6 1 1 A 11 11 VAL H H 11 8.250 8.432 -0.182 1
1 80 . 6 1 1 A 11 11 VAL HA H 11 4.090 4.222 -0.132 1
1 88 . 6 1 1 A 11 11 VAL C C 11 176.100 175.931 0.169 1
1 89 . 6 1 1 A 11 11 VAL CA C 11 62.400 62.185 0.215 1
1 90 . 6 1 1 A 11 11 VAL CB C 11 32.500 32.548 -0.048 1
1 93 . 6 1 1 A 11 11 VAL N N 11 121.900 121.807 0.093 1
1 94 . 6 1 1 A 12 12 CYS H H 12 8.450 8.658 -0.208 1
1 95 . 6 1 1 A 12 12 CYS HA H 12 4.500 4.438 0.062 1
1 98 . 6 1 1 A 12 12 CYS C C 12 174.400 174.865 -0.465 1
1 99 . 6 1 1 A 12 12 CYS CA C 12 58.300 59.434 -1.134 1
1 100 . 6 1 1 A 12 12 CYS CB C 12 28.000 27.803 0.197 1
1 101 . 6 1 1 A 12 12 CYS N N 12 123.800 126.536 -2.736 1
1 102 . 6 1 1 A 13 13 GLU H H 13 8.560 9.039 -0.479 1
1 103 . 6 1 1 A 13 13 GLU HA H 13 4.260 4.132 0.128 1
1 108 . 6 1 1 A 13 13 GLU C C 13 176.100 176.853 -0.753 1
1 109 . 6 1 1 A 13 13 GLU CA C 13 56.700 57.676 -0.976 1
1 110 . 6 1 1 A 13 13 GLU CB C 13 30.200 29.480 0.720 1
1 112 . 6 1 1 A 13 13 GLU N N 13 124.100 121.322 2.778 1
1 113 . 6 1 1 A 14 14 ALA H H 14 8.400 8.102 0.298 1
1 114 . 6 1 1 A 14 14 ALA HA H 14 4.350 4.283 0.067 1
1 118 . 6 1 1 A 14 14 ALA C C 14 177.700 177.190 0.510 1
1 119 . 6 1 1 A 14 14 ALA CA C 14 52.600 52.774 -0.174 1
1 120 . 6 1 1 A 14 14 ALA CB C 14 19.100 19.866 -0.766 1
1 121 . 6 1 1 A 14 14 ALA N N 14 125.400 120.759 4.641 1
1 122 . 6 1 1 A 15 15 CYS H H 15 8.370 7.553 0.817 1
1 123 . 6 1 1 A 15 15 CYS HA H 15 4.490 4.801 -0.311 1
1 126 . 6 1 1 A 15 15 CYS C C 15 175.100 173.737 1.363 1
1 127 . 6 1 1 A 15 15 CYS CA C 15 58.400 57.078 1.322 1
1 128 . 6 1 1 A 15 15 CYS CB C 15 28.000 30.990 -2.990 1
1 129 . 6 1 1 A 15 15 CYS N N 15 118.500 114.684 3.816 1
1 130 . 6 1 1 A 16 16 GLY H H 16 8.480 8.658 -0.178 1
1 131 . 6 1 1 A 16 16 GLY HA2 H 16 3.970 4.063 -0.093 1
1 132 . 6 1 1 A 16 16 GLY HA3 H 16 3.970 4.063 -0.093 1
1 133 . 6 1 1 A 16 16 GLY C C 16 174.100 172.969 1.131 1
1 134 . 6 1 1 A 16 16 GLY CA C 16 45.400 45.096 0.304 1
1 135 . 6 1 1 A 16 16 GLY N N 16 111.300 107.675 3.625 1
1 136 . 6 1 1 A 17 17 CYS H H 17 8.300 8.705 -0.405 1
1 137 . 6 1 1 A 17 17 CYS HA H 17 4.500 4.690 -0.190 1
1 140 . 6 1 1 A 17 17 CYS C C 17 174.500 175.365 -0.865 1
1 141 . 6 1 1 A 17 17 CYS CA C 17 58.300 58.645 -0.345 1
1 142 . 6 1 1 A 17 17 CYS CB C 17 28.100 27.978 0.122 1
1 143 . 6 1 1 A 17 17 CYS N N 17 118.900 119.049 -0.149 1
1 144 . 6 1 1 A 18 18 ALA H H 18 8.520 9.047 -0.527 1
1 145 . 6 1 1 A 18 18 ALA HA H 18 4.260 4.186 0.074 1
1 149 . 6 1 1 A 18 18 ALA C C 18 178.000 178.298 -0.298 1
1 150 . 6 1 1 A 18 18 ALA CA C 18 52.900 53.782 -0.882 1
1 151 . 6 1 1 A 18 18 ALA CB C 18 19.000 18.817 0.183 1
1 152 . 6 1 1 A 18 18 ALA N N 18 126.800 126.199 0.601 1
1 153 . 6 1 1 A 19 19 GLY H H 19 8.310 8.287 0.023 1
1 154 . 6 1 1 A 19 19 GLY HA2 H 19 3.890 3.952 -0.062 1
1 155 . 6 1 1 A 19 19 GLY HA3 H 19 3.890 3.952 -0.062 1
1 156 . 6 1 1 A 19 19 GLY C C 19 174.000 174.307 -0.307 1
1 157 . 6 1 1 A 19 19 GLY CA C 19 45.000 45.567 -0.567 1
1 158 . 6 1 1 A 19 19 GLY N N 19 108.100 106.682 1.418 1
1 159 . 6 1 1 A 20 20 GLU H H 20 8.180 7.324 0.856 1
1 160 . 6 1 1 A 20 20 GLU HA H 20 4.270 4.327 -0.057 1
1 165 . 6 1 1 A 20 20 GLU C C 20 176.400 175.760 0.640 1
1 166 . 6 1 1 A 20 20 GLU CA C 20 56.200 56.773 -0.573 1
1 167 . 6 1 1 A 20 20 GLU CB C 20 30.100 30.259 -0.159 1
1 169 . 6 1 1 A 20 20 GLU N N 20 120.500 120.138 0.362 1
1 170 . 6 1 1 A 21 21 ILE H H 21 8.160 8.637 -0.477 1
1 171 . 6 1 1 A 21 21 ILE HA H 21 4.020 4.513 -0.493 1
1 181 . 6 1 1 A 21 21 ILE C C 21 176.400 175.200 1.200 1
1 182 . 6 1 1 A 21 21 ILE CA C 21 61.200 60.726 0.474 1
1 183 . 6 1 1 A 21 21 ILE CB C 21 38.200 39.325 -1.125 1
1 187 . 6 1 1 A 21 21 ILE N N 21 122.000 126.430 -4.430 1
1 188 . 6 1 1 A 22 22 GLY H H 22 8.260 8.141 0.119 1
1 189 . 6 1 1 A 22 22 GLY HA2 H 22 3.740 3.886 -0.146 1
1 190 . 6 1 1 A 22 22 GLY HA3 H 22 3.880 4.008 -0.128 1
1 191 . 6 1 1 A 22 22 GLY C C 22 173.200 172.227 0.973 1
1 192 . 6 1 1 A 22 22 GLY CA C 22 45.100 46.103 -1.003 1
1 193 . 6 1 1 A 22 22 GLY N N 22 112.500 114.785 -2.285 1
1 194 . 6 1 1 A 23 23 PHE H H 23 7.890 8.422 -0.532 1
1 195 . 6 1 1 A 23 23 PHE HA H 23 4.550 4.694 -0.144 1
1 202 . 6 1 1 A 23 23 PHE CA C 23 58.100 58.859 -0.759 1
1 203 . 6 1 1 A 23 23 PHE CB C 23 41.200 40.215 0.985 1
1 206 . 6 1 1 A 23 23 PHE N N 23 119.700 120.521 -0.821 1
1 207 . 6 1 1 A 24 24 ILE HA H 24 3.970 3.924 0.046 1
1 217 . 6 1 1 A 24 24 ILE CA C 24 62.400 61.605 0.795 1
1 218 . 6 1 1 A 24 24 ILE CB C 24 37.700 37.039 0.661 1
1 222 . 6 1 1 A 25 25 ILE H H 25 8.950 8.568 0.382 1
1 223 . 6 1 1 A 25 25 ILE HA H 25 3.740 4.088 -0.348 1
1 233 . 6 1 1 A 25 25 ILE C C 25 175.200 176.018 -0.818 1
1 234 . 6 1 1 A 25 25 ILE CA C 25 62.700 61.566 1.134 1
1 235 . 6 1 1 A 25 25 ILE CB C 25 38.200 37.858 0.342 1
1 239 . 6 1 1 A 25 25 ILE N N 25 124.800 128.046 -3.246 1
1 240 . 6 1 1 A 26 26 ARG H H 26 8.040 8.981 -0.941 1
1 241 . 6 1 1 A 26 26 ARG HA H 26 4.140 4.520 -0.380 1
1 248 . 6 1 1 A 26 26 ARG C C 26 175.900 176.462 -0.562 1
1 249 . 6 1 1 A 26 26 ARG CA C 26 55.300 56.053 -0.753 1
1 250 . 6 1 1 A 26 26 ARG CB C 26 31.100 30.411 0.689 1
1 253 . 6 1 1 A 26 26 ARG N N 26 128.100 126.439 1.661 1
1 254 . 6 1 1 A 27 27 GLU H H 27 8.560 8.165 0.395 1
1 255 . 6 1 1 A 27 27 GLU HA H 27 4.030 4.540 -0.510 1
1 260 . 6 1 1 A 27 27 GLU C C 27 176.300 176.060 0.240 1
1 261 . 6 1 1 A 27 27 GLU CA C 27 57.000 56.146 0.854 1
1 262 . 6 1 1 A 27 27 GLU CB C 27 30.000 28.486 1.514 1
1 264 . 6 1 1 A 27 27 GLU N N 27 123.500 119.981 3.519 1
1 265 . 6 1 1 A 28 28 GLY H H 28 8.420 9.106 -0.686 1
1 266 . 6 1 1 A 28 28 GLY HA2 H 28 4.050 3.863 0.187 1
1 267 . 6 1 1 A 28 28 GLY HA3 H 28 4.220 3.871 0.349 1
1 268 . 6 1 1 A 28 28 GLY C C 28 174.000 174.839 -0.839 1
1 269 . 6 1 1 A 28 28 GLY CA C 28 45.400 45.968 -0.568 1
1 270 . 6 1 1 A 28 28 GLY N N 28 108.300 109.851 -1.551 1
1 271 . 6 1 1 A 29 29 ASP H H 29 8.690 9.000 -0.310 1
1 272 . 6 1 1 A 29 29 ASP HA H 29 4.430 4.216 0.214 1
1 275 . 6 1 1 A 29 29 ASP C C 29 175.200 175.667 -0.467 1
1 276 . 6 1 1 A 29 29 ASP CA C 29 56.300 56.246 0.054 1
1 277 . 6 1 1 A 29 29 ASP CB C 29 40.300 38.400 1.900 1
1 278 . 6 1 1 A 29 29 ASP N N 29 119.800 117.531 2.269 1
1 279 . 6 1 1 A 30 30 ASP H H 30 8.630 9.095 -0.465 1
1 280 . 6 1 1 A 30 30 ASP HA H 30 4.260 4.748 -0.488 1
1 283 . 6 1 1 A 30 30 ASP C C 30 174.300 174.827 -0.527 1
1 284 . 6 1 1 A 30 30 ASP CA C 30 52.600 54.479 -1.879 1
1 285 . 6 1 1 A 30 30 ASP CB C 30 39.200 41.384 -2.184 1
1 286 . 6 1 1 A 30 30 ASP N N 30 114.900 116.976 -2.076 1
1 287 . 6 1 1 A 31 31 VAL H H 31 7.550 7.540 0.010 1
1 288 . 6 1 1 A 31 31 VAL HA H 31 5.300 5.026 0.274 1
1 296 . 6 1 1 A 31 31 VAL C C 31 175.800 173.636 2.164 1
1 297 . 6 1 1 A 31 31 VAL CA C 31 60.700 59.789 0.911 1
1 298 . 6 1 1 A 31 31 VAL CB C 31 35.000 35.753 -0.753 1
1 301 . 6 1 1 A 31 31 VAL N N 31 120.500 119.353 1.147 1
1 302 . 6 1 1 A 32 32 ALA H H 32 9.580 9.589 -0.009 1
1 303 . 6 1 1 A 32 32 ALA HA H 32 5.030 5.355 -0.325 1
1 307 . 6 1 1 A 32 32 ALA C C 32 175.800 175.883 -0.083 1
1 308 . 6 1 1 A 32 32 ALA CA C 32 50.000 50.323 -0.323 1
1 309 . 6 1 1 A 32 32 ALA CB C 32 22.800 22.669 0.131 1
1 310 . 6 1 1 A 32 32 ALA N N 32 130.500 128.629 1.871 1
1 311 . 6 1 1 A 33 33 GLU H H 33 9.270 8.764 0.506 1
1 312 . 6 1 1 A 33 33 GLU HA H 33 5.140 4.879 0.261 1
1 317 . 6 1 1 A 33 33 GLU C C 33 175.900 176.044 -0.144 1
1 318 . 6 1 1 A 33 33 GLU CA C 33 55.300 55.738 -0.438 1
1 319 . 6 1 1 A 33 33 GLU CB C 33 31.500 30.980 0.520 1
1 321 . 6 1 1 A 33 33 GLU N N 33 124.500 120.559 3.941 1
1 322 . 6 1 1 A 34 34 VAL H H 34 9.140 8.694 0.446 1
1 323 . 6 1 1 A 34 34 VAL HA H 34 4.580 4.934 -0.354 1
1 331 . 6 1 1 A 34 34 VAL C C 34 174.300 174.788 -0.488 1
1 332 . 6 1 1 A 34 34 VAL CA C 34 60.800 60.871 -0.071 1
1 333 . 6 1 1 A 34 34 VAL CB C 34 35.700 34.539 1.161 1
1 336 . 6 1 1 A 34 34 VAL N N 34 124.700 124.206 0.494 1
1 337 . 6 1 1 A 35 35 SER H H 35 8.450 8.882 -0.432 1
1 338 . 6 1 1 A 35 35 SER HA H 35 5.060 5.292 -0.232 1
1 341 . 6 1 1 A 35 35 SER C C 35 172.100 173.209 -1.109 1
1 342 . 6 1 1 A 35 35 SER CA C 35 56.900 57.191 -0.291 1
1 343 . 6 1 1 A 35 35 SER CB C 35 64.800 65.287 -0.487 1
1 344 . 6 1 1 A 35 35 SER N N 35 122.100 124.051 -1.951 1
1 345 . 6 1 1 A 36 36 LEU H H 36 8.540 8.395 0.145 1
1 346 . 6 1 1 A 36 36 LEU HA H 36 4.570 4.915 -0.345 1
1 356 . 6 1 1 A 36 36 LEU C C 36 174.200 175.478 -1.278 1
1 357 . 6 1 1 A 36 36 LEU CA C 36 52.600 53.349 -0.749 1
1 358 . 6 1 1 A 36 36 LEU CB C 36 45.600 45.038 0.562 1
1 362 . 6 1 1 A 36 36 LEU N N 36 123.600 126.253 -2.653 1
1 363 . 6 1 1 A 37 37 PHE H H 37 8.400 8.727 -0.327 1
1 364 . 6 1 1 A 37 37 PHE HA H 37 5.300 5.549 -0.249 1
1 369 . 6 1 1 A 37 37 PHE C C 37 175.600 175.876 -0.276 1
1 370 . 6 1 1 A 37 37 PHE CA C 37 56.300 55.831 0.469 1
1 371 . 6 1 1 A 37 37 PHE CB C 37 42.000 42.409 -0.409 1
1 374 . 6 1 1 A 37 37 PHE N N 37 118.300 120.810 -2.510 1
1 375 . 6 1 1 A 38 38 GLY H H 38 8.340 8.358 -0.018 1
1 376 . 6 1 1 A 38 38 GLY HA2 H 38 3.750 4.345 -0.595 1
1 377 . 6 1 1 A 38 38 GLY HA3 H 38 4.210 4.352 -0.142 1
1 378 . 6 1 1 A 38 38 GLY CA C 38 45.600 45.956 -0.356 1
1 379 . 6 1 1 A 38 38 GLY N N 38 109.300 109.835 -0.535 1
1 380 . 6 1 1 A 39 39 SER HA H 39 4.210 4.545 -0.335 1
1 383 . 6 1 1 A 39 39 SER C C 39 173.700 173.929 -0.229 1
1 384 . 6 1 1 A 39 39 SER CA C 39 60.100 59.534 0.566 1
1 385 . 6 1 1 A 39 39 SER CB C 39 63.900 63.395 0.505 1
1 386 . 6 1 1 A 40 40 ASP H H 40 7.670 8.138 -0.468 1
1 387 . 6 1 1 A 40 40 ASP HA H 40 4.810 4.681 0.129 1
1 390 . 6 1 1 A 40 40 ASP C C 40 175.500 177.017 -1.517 1
1 391 . 6 1 1 A 40 40 ASP CA C 40 52.900 54.298 -1.398 1
1 392 . 6 1 1 A 40 40 ASP CB C 40 41.300 42.178 -0.878 1
1 393 . 6 1 1 A 40 40 ASP N N 40 115.800 121.387 -5.587 1
1 394 . 6 1 1 A 41 41 LYS H H 41 8.260 8.655 -0.395 1
1 395 . 6 1 1 A 41 41 LYS HA H 41 3.780 3.929 -0.149 1
1 404 . 6 1 1 A 41 41 LYS C C 41 177.100 178.151 -1.051 1
1 405 . 6 1 1 A 41 41 LYS CA C 41 60.500 59.431 1.069 1
1 406 . 6 1 1 A 41 41 LYS CB C 41 33.400 31.957 1.443 1
1 410 . 6 1 1 A 41 41 LYS N N 41 120.200 126.247 -6.047 1
1 411 . 6 1 1 A 42 42 ALA H H 42 8.420 7.845 0.575 1
1 412 . 6 1 1 A 42 42 ALA HA H 42 4.180 4.170 0.010 1
1 416 . 6 1 1 A 42 42 ALA C C 42 181.900 179.888 2.012 1
1 417 . 6 1 1 A 42 42 ALA CA C 42 55.400 54.945 0.455 1
1 418 . 6 1 1 A 42 42 ALA CB C 42 17.700 17.939 -0.239 1
1 419 . 6 1 1 A 42 42 ALA N N 42 120.700 121.887 -1.187 1
1 420 . 6 1 1 A 43 43 HIS H H 43 8.490 7.836 0.654 1
1 421 . 6 1 1 A 43 43 HIS HA H 43 4.330 4.369 -0.039 1
1 424 . 6 1 1 A 43 43 HIS C C 43 178.800 177.260 1.540 1
1 425 . 6 1 1 A 43 43 HIS CA C 43 59.600 59.815 -0.215 1
1 426 . 6 1 1 A 43 43 HIS CB C 43 30.300 30.550 -0.250 1
1 427 . 6 1 1 A 43 43 HIS N N 43 118.000 118.315 -0.315 1
1 428 . 6 1 1 A 44 44 LEU H H 44 8.340 8.074 0.266 1
1 429 . 6 1 1 A 44 44 LEU HA H 44 3.750 3.610 0.140 1
1 439 . 6 1 1 A 44 44 LEU C C 44 178.500 179.158 -0.658 1
1 440 . 6 1 1 A 44 44 LEU CA C 44 58.200 57.845 0.355 1
1 441 . 6 1 1 A 44 44 LEU CB C 44 42.100 41.294 0.806 1
1 445 . 6 1 1 A 44 44 LEU N N 44 121.500 119.293 2.207 1
1 446 . 6 1 1 A 45 45 GLU H H 45 8.880 8.703 0.177 1
1 447 . 6 1 1 A 45 45 GLU HA H 45 3.750 4.011 -0.261 1
1 452 . 6 1 1 A 45 45 GLU C C 45 180.200 180.078 0.122 1
1 453 . 6 1 1 A 45 45 GLU CA C 45 60.000 59.388 0.612 1
1 454 . 6 1 1 A 45 45 GLU CB C 45 29.000 29.296 -0.296 1
1 456 . 6 1 1 A 45 45 GLU N N 45 118.300 118.328 -0.028 1
1 457 . 6 1 1 A 46 46 GLY H H 46 7.970 8.326 -0.356 1
1 458 . 6 1 1 A 46 46 GLY HA2 H 46 3.920 3.753 0.167 1
1 459 . 6 1 1 A 46 46 GLY HA3 H 46 3.920 3.753 0.167 1
1 460 . 6 1 1 A 46 46 GLY C C 46 176.500 175.692 0.808 1
1 461 . 6 1 1 A 46 46 GLY CA C 46 46.900 47.476 -0.576 1
1 462 . 6 1 1 A 46 46 GLY N N 46 108.100 109.768 -1.668 1
1 463 . 6 1 1 A 47 47 LYS H H 47 7.690 7.573 0.117 1
1 464 . 6 1 1 A 47 47 LYS HA H 47 4.320 3.993 0.327 1
1 473 . 6 1 1 A 47 47 LYS C C 47 179.400 179.562 -0.162 1
1 474 . 6 1 1 A 47 47 LYS CA C 47 58.400 59.333 -0.933 1
1 475 . 6 1 1 A 47 47 LYS CB C 47 32.100 32.106 -0.006 1
1 479 . 6 1 1 A 47 47 LYS N N 47 122.400 122.221 0.179 1
1 480 . 6 1 1 A 48 48 LEU H H 48 8.550 7.883 0.667 1
1 481 . 6 1 1 A 48 48 LEU HA H 48 3.980 3.839 0.141 1
1 491 . 6 1 1 A 48 48 LEU C C 48 178.300 178.663 -0.363 1
1 492 . 6 1 1 A 48 48 LEU CA C 48 57.900 57.642 0.258 1
1 493 . 6 1 1 A 48 48 LEU CB C 48 40.800 41.181 -0.381 1
1 497 . 6 1 1 A 48 48 LEU N N 48 120.600 121.371 -0.771 1
1 498 . 6 1 1 A 49 49 ALA H H 49 7.810 8.058 -0.248 1
1 499 . 6 1 1 A 49 49 ALA HA H 49 4.000 4.047 -0.047 1
1 503 . 6 1 1 A 49 49 ALA C C 49 180.400 180.038 0.362 1
1 504 . 6 1 1 A 49 49 ALA CA C 49 55.600 55.418 0.182 1
1 505 . 6 1 1 A 49 49 ALA CB C 49 17.900 18.111 -0.211 1
1 506 . 6 1 1 A 49 49 ALA N N 49 120.000 120.926 -0.926 1
1 507 . 6 1 1 A 50 50 GLU H H 50 7.520 7.904 -0.384 1
1 508 . 6 1 1 A 50 50 GLU HA H 50 4.130 4.098 0.032 1
1 513 . 6 1 1 A 50 50 GLU C C 50 179.600 179.400 0.200 1
1 514 . 6 1 1 A 50 50 GLU CA C 50 59.200 58.762 0.438 1
1 515 . 6 1 1 A 50 50 GLU CB C 50 29.800 29.710 0.090 1
1 517 . 6 1 1 A 50 50 GLU N N 50 117.300 119.573 -2.273 1
1 518 . 6 1 1 A 51 51 TYR H H 51 7.860 8.125 -0.265 1
1 519 . 6 1 1 A 51 51 TYR HA H 51 3.900 4.411 -0.511 1
1 526 . 6 1 1 A 51 51 TYR C C 51 177.900 178.339 -0.439 1
1 527 . 6 1 1 A 51 51 TYR CA C 51 62.400 61.064 1.336 1
1 528 . 6 1 1 A 51 51 TYR CB C 51 38.200 38.333 -0.133 1
1 533 . 6 1 1 A 51 51 TYR N N 51 120.300 119.435 0.865 1
1 534 . 6 1 1 A 52 52 ILE H H 52 8.590 8.169 0.421 1
1 535 . 6 1 1 A 52 52 ILE HA H 52 3.420 3.598 -0.178 1
1 545 . 6 1 1 A 52 52 ILE C C 52 177.400 178.208 -0.808 1
1 546 . 6 1 1 A 52 52 ILE CA C 52 66.200 65.218 0.982 1
1 547 . 6 1 1 A 52 52 ILE CB C 52 38.200 38.127 0.073 1
1 551 . 6 1 1 A 52 52 ILE N N 52 120.100 120.666 -0.566 1
1 552 . 6 1 1 A 53 53 SER H H 53 7.860 8.065 -0.205 1
1 553 . 6 1 1 A 53 53 SER HA H 53 4.080 4.101 -0.021 1
1 556 . 6 1 1 A 53 53 SER C C 53 177.700 176.711 0.989 1
1 557 . 6 1 1 A 53 53 SER CA C 53 61.800 62.317 -0.517 1
1 558 . 6 1 1 A 53 53 SER CB C 53 62.600 63.241 -0.641 1
1 559 . 6 1 1 A 53 53 SER N N 53 113.100 116.157 -3.057 1
1 560 . 6 1 1 A 54 54 LEU H H 54 7.610 8.491 -0.881 1
1 561 . 6 1 1 A 54 54 LEU HA H 54 4.090 4.082 0.008 1
1 571 . 6 1 1 A 54 54 LEU C C 54 178.600 179.096 -0.496 1
1 572 . 6 1 1 A 54 54 LEU CA C 54 58.000 57.770 0.230 1
1 573 . 6 1 1 A 54 54 LEU CB C 54 42.200 41.620 0.580 1
1 577 . 6 1 1 A 54 54 LEU N N 54 121.200 121.312 -0.112 1
1 578 . 6 1 1 A 55 55 ALA H H 55 8.640 8.787 -0.147 1
1 579 . 6 1 1 A 55 55 ALA HA H 55 3.860 4.124 -0.264 1
1 583 . 6 1 1 A 55 55 ALA C C 55 179.100 179.177 -0.077 1
1 584 . 6 1 1 A 55 55 ALA CA C 55 56.200 55.428 0.772 1
1 585 . 6 1 1 A 55 55 ALA CB C 55 19.000 17.864 1.136 1
1 586 . 6 1 1 A 55 55 ALA N N 55 121.900 121.936 -0.036 1
1 587 . 6 1 1 A 56 56 LYS H H 56 8.120 8.182 -0.062 1
1 588 . 6 1 1 A 56 56 LYS HA H 56 4.220 4.053 0.167 1
1 597 . 6 1 1 A 56 56 LYS C C 56 178.800 178.972 -0.172 1
1 598 . 6 1 1 A 56 56 LYS CA C 56 58.300 59.797 -1.497 1
1 599 . 6 1 1 A 56 56 LYS CB C 56 32.900 32.513 0.387 1
1 603 . 6 1 1 A 56 56 LYS N N 56 115.600 118.576 -2.976 1
1 604 . 6 1 1 A 57 57 GLN H H 57 7.590 7.737 -0.147 1
1 605 . 6 1 1 A 57 57 GLN HA H 57 4.010 4.047 -0.037 1
1 612 . 6 1 1 A 57 57 GLN C C 57 178.300 179.011 -0.711 1
1 613 . 6 1 1 A 57 57 GLN CA C 57 58.400 58.815 -0.415 1
1 614 . 6 1 1 A 57 57 GLN CB C 57 28.600 28.365 0.235 1
1 617 . 6 1 1 A 57 57 GLN N N 57 117.900 118.316 -0.416 1
1 619 . 6 1 1 A 58 58 VAL H H 58 7.650 8.049 -0.399 1
1 620 . 6 1 1 A 58 58 VAL HA H 58 3.750 3.709 0.041 1
1 628 . 6 1 1 A 58 58 VAL C C 58 176.400 176.036 0.364 1
1 629 . 6 1 1 A 58 58 VAL CA C 58 65.500 66.453 -0.953 1
1 630 . 6 1 1 A 58 58 VAL CB C 58 32.000 31.769 0.231 1
1 633 . 6 1 1 A 58 58 VAL N N 58 120.200 120.892 -0.692 1
1 634 . 6 1 1 A 59 59 TYR H H 59 8.700 8.538 0.162 1
1 635 . 6 1 1 A 59 59 TYR HA H 59 5.040 4.903 0.137 1
1 642 . 6 1 1 A 59 59 TYR C C 59 174.100 174.110 -0.010 1
1 643 . 6 1 1 A 59 59 TYR CA C 59 55.500 56.492 -0.992 1
1 644 . 6 1 1 A 59 59 TYR CB C 59 40.500 39.988 0.512 1
1 649 . 6 1 1 A 59 59 TYR N N 59 120.400 120.619 -0.219 1
1 650 . 6 1 1 A 60 60 ALA H H 60 8.900 8.414 0.486 1
1 651 . 6 1 1 A 60 60 ALA HA H 60 4.230 4.580 -0.350 1
1 655 . 6 1 1 A 60 60 ALA CA C 60 55.400 52.044 3.356 1
1 656 . 6 1 1 A 60 60 ALA CB C 60 18.100 21.768 -3.668 1
1 657 . 6 1 1 A 60 60 ALA N N 60 131.000 122.714 8.286 1
1 658 . 6 1 1 A 61 61 ASN H H 61 5.430 9.225 -3.795 1
1 659 . 6 1 1 A 61 61 ASN HA H 61 4.760 4.346 0.414 1
1 664 . 6 1 1 A 61 61 ASN C C 61 173.200 175.323 -2.123 1
1 665 . 6 1 1 A 61 61 ASN CA C 61 51.800 54.114 -2.314 1
1 666 . 6 1 1 A 61 61 ASN CB C 61 37.600 37.622 -0.022 1
1 668 . 6 1 1 A 61 61 ASN N N 61 111.100 120.969 -9.869 1
1 670 . 6 1 1 A 62 62 VAL H H 62 6.870 7.887 -1.017 1
1 671 . 6 1 1 A 62 62 VAL HA H 62 3.730 4.095 -0.365 1
1 679 . 6 1 1 A 62 62 VAL C C 62 172.400 174.564 -2.164 1
1 680 . 6 1 1 A 62 62 VAL CA C 62 62.500 62.494 0.006 1
1 681 . 6 1 1 A 62 62 VAL CB C 62 31.300 32.984 -1.684 1
1 684 . 6 1 1 A 62 62 VAL N N 62 120.400 119.937 0.463 1
1 685 . 6 1 1 A 63 63 GLU H H 63 7.360 8.645 -1.285 1
1 686 . 6 1 1 A 63 63 GLU HA H 63 4.590 5.014 -0.424 1
1 691 . 6 1 1 A 63 63 GLU C C 63 174.500 174.347 0.153 1
1 692 . 6 1 1 A 63 63 GLU CA C 63 54.000 54.683 -0.683 1
1 693 . 6 1 1 A 63 63 GLU CB C 63 32.700 33.535 -0.835 1
1 695 . 6 1 1 A 63 63 GLU N N 63 126.500 128.409 -1.909 1
1 696 . 6 1 1 A 64 64 TYR H H 64 8.300 8.429 -0.129 1
1 697 . 6 1 1 A 64 64 TYR HA H 64 5.400 4.962 0.438 1
1 704 . 6 1 1 A 64 64 TYR C C 64 173.400 172.630 0.770 1
1 705 . 6 1 1 A 64 64 TYR CA C 64 54.800 55.540 -0.740 1
1 706 . 6 1 1 A 64 64 TYR CB C 64 41.800 40.692 1.108 1
1 711 . 6 1 1 A 64 64 TYR N N 64 118.800 120.771 -1.971 1
1 712 . 6 1 1 A 65 65 GLU H H 65 8.470 8.302 0.168 1
1 713 . 6 1 1 A 65 65 GLU HA H 65 4.440 4.845 -0.405 1
1 718 . 6 1 1 A 65 65 GLU C C 65 173.800 174.752 -0.952 1
1 719 . 6 1 1 A 65 65 GLU CA C 65 54.600 54.762 -0.162 1
1 720 . 6 1 1 A 65 65 GLU CB C 65 35.000 33.881 1.119 1
1 722 . 6 1 1 A 65 65 GLU N N 65 121.300 119.133 2.167 1
1 723 . 6 1 1 A 66 66 VAL H H 66 8.780 8.249 0.531 1
1 724 . 6 1 1 A 66 66 VAL HA H 66 4.600 4.411 0.189 1
1 732 . 6 1 1 A 66 66 VAL C C 66 175.900 174.864 1.036 1
1 733 . 6 1 1 A 66 66 VAL CA C 66 60.800 60.409 0.391 1
1 734 . 6 1 1 A 66 66 VAL CB C 66 33.800 34.625 -0.825 1
1 737 . 6 1 1 A 66 66 VAL N N 66 126.000 121.625 4.375 1
1 738 . 6 1 1 A 67 67 ALA H H 67 8.400 8.260 0.140 1
1 739 . 6 1 1 A 67 67 ALA HA H 67 4.390 4.589 -0.199 1
1 743 . 6 1 1 A 67 67 ALA CA C 67 51.100 50.772 0.328 1
1 744 . 6 1 1 A 67 67 ALA CB C 67 16.800 18.228 -1.428 1
1 745 . 6 1 1 A 67 67 ALA N N 67 132.400 130.328 2.072 1
1 746 . 6 1 1 A 68 68 PRO HA H 68 4.260 4.511 -0.251 1
1 753 . 6 1 1 A 68 68 PRO C C 68 176.400 175.963 0.437 1
1 754 . 6 1 1 A 68 68 PRO CA C 68 63.800 63.404 0.396 1
1 755 . 6 1 1 A 68 68 PRO CB C 68 31.800 32.155 -0.355 1
1 758 . 6 1 1 A 69 69 VAL H H 69 8.240 8.458 -0.218 1
1 759 . 6 1 1 A 69 69 VAL HA H 69 4.360 4.566 -0.206 1
1 767 . 6 1 1 A 69 69 VAL C C 69 175.500 175.206 0.294 1
1 768 . 6 1 1 A 69 69 VAL CA C 69 60.500 60.638 -0.138 1
1 769 . 6 1 1 A 69 69 VAL CB C 69 34.200 35.475 -1.275 1
1 772 . 6 1 1 A 69 69 VAL N N 69 121.600 123.793 -2.193 1
1 773 . 6 1 1 A 70 70 ALA H H 70 8.630 8.748 -0.118 1
1 774 . 6 1 1 A 70 70 ALA HA H 70 4.370 4.437 -0.067 1
1 778 . 6 1 1 A 70 70 ALA C C 70 178.100 178.246 -0.146 1
1 779 . 6 1 1 A 70 70 ALA CA C 70 51.700 52.099 -0.399 1
1 780 . 6 1 1 A 70 70 ALA CB C 70 19.700 19.351 0.349 1
1 781 . 6 1 1 A 70 70 ALA N N 70 128.800 129.631 -0.831 1
1 782 . 6 1 1 A 71 71 ASP H H 71 8.640 9.061 -0.421 1
1 783 . 6 1 1 A 71 71 ASP HA H 71 4.330 4.309 0.021 1
1 786 . 6 1 1 A 71 71 ASP C C 71 177.000 176.911 0.089 1
1 787 . 6 1 1 A 71 71 ASP CA C 71 57.300 56.739 0.561 1
1 788 . 6 1 1 A 71 71 ASP CB C 71 40.300 39.908 0.392 1
1 789 . 6 1 1 A 71 71 ASP N N 71 118.900 121.733 -2.833 1
1 790 . 6 1 1 A 72 72 ASN H H 72 8.100 7.667 0.433 1
1 791 . 6 1 1 A 72 72 ASN HA H 72 4.810 4.902 -0.092 1
1 796 . 6 1 1 A 72 72 ASN C C 72 175.300 174.926 0.374 1
1 797 . 6 1 1 A 72 72 ASN CA C 72 51.900 53.116 -1.216 1
1 798 . 6 1 1 A 72 72 ASN CB C 72 37.400 38.952 -1.552 1
1 800 . 6 1 1 A 72 72 ASN N N 72 114.800 115.488 -0.688 1
1 802 . 6 1 1 A 73 73 ALA H H 73 7.580 7.272 0.308 1
1 803 . 6 1 1 A 73 73 ALA HA H 73 4.230 4.238 -0.008 1
1 807 . 6 1 1 A 73 73 ALA C C 73 176.300 178.775 -2.475 1
1 808 . 6 1 1 A 73 73 ALA CA C 73 53.200 52.725 0.475 1
1 809 . 6 1 1 A 73 73 ALA CB C 73 21.000 18.979 2.021 1
1 810 . 6 1 1 A 73 73 ALA N N 73 123.400 123.060 0.340 1
1 811 . 6 1 1 A 74 74 THR H H 74 8.220 8.903 -0.683 1
1 812 . 6 1 1 A 74 74 THR HA H 74 4.560 4.763 -0.203 1
1 817 . 6 1 1 A 74 74 THR C C 74 174.100 173.873 0.227 1
1 818 . 6 1 1 A 74 74 THR CA C 74 60.200 62.157 -1.957 1
1 819 . 6 1 1 A 74 74 THR CB C 74 69.900 69.509 0.391 1
1 821 . 6 1 1 A 74 74 THR N N 74 104.600 112.022 -7.422 1
1 822 . 6 1 1 A 75 75 GLU H H 75 7.310 7.782 -0.472 1
1 823 . 6 1 1 A 75 75 GLU HA H 75 5.190 4.818 0.372 1
1 828 . 6 1 1 A 75 75 GLU C C 75 173.600 173.480 0.120 1
1 829 . 6 1 1 A 75 75 GLU CA C 75 54.100 55.158 -1.058 1
1 830 . 6 1 1 A 75 75 GLU CB C 75 34.100 32.670 1.430 1
1 832 . 6 1 1 A 75 75 GLU N N 75 119.100 119.504 -0.404 1
1 833 . 6 1 1 A 76 76 LEU H H 76 8.400 8.332 0.068 1
1 834 . 6 1 1 A 76 76 LEU HA H 76 4.650 5.252 -0.602 1
1 844 . 6 1 1 A 76 76 LEU C C 76 174.100 173.764 0.336 1
1 845 . 6 1 1 A 76 76 LEU CA C 76 54.200 53.170 1.030 1
1 846 . 6 1 1 A 76 76 LEU CB C 76 47.400 46.035 1.365 1
1 850 . 6 1 1 A 76 76 LEU N N 76 122.600 123.120 -0.520 1
1 851 . 6 1 1 A 77 77 HIS H H 77 9.340 8.824 0.516 1
1 852 . 6 1 1 A 77 77 HIS HA H 77 5.440 5.407 0.033 1
1 855 . 6 1 1 A 77 77 HIS C C 77 172.700 173.932 -1.232 1
1 856 . 6 1 1 A 77 77 HIS CA C 77 54.400 53.890 0.510 1
1 857 . 6 1 1 A 77 77 HIS CB C 77 31.700 32.455 -0.755 1
1 858 . 6 1 1 A 77 77 HIS N N 77 123.500 126.216 -2.716 1
1 859 . 6 1 1 A 78 78 ALA H H 78 9.190 8.156 1.034 1
1 860 . 6 1 1 A 78 78 ALA HA H 78 5.620 4.643 0.977 1
1 864 . 6 1 1 A 78 78 ALA C C 78 175.600 175.075 0.525 1
1 865 . 6 1 1 A 78 78 ALA CA C 78 50.300 51.094 -0.794 1
1 866 . 6 1 1 A 78 78 ALA CB C 78 24.100 24.010 0.090 1
1 867 . 6 1 1 A 78 78 ALA N N 78 124.800 128.679 -3.879 1
1 868 . 6 1 1 A 79 79 ARG H H 79 8.680 7.934 0.746 1
1 869 . 6 1 1 A 79 79 ARG HA H 79 5.230 5.353 -0.123 1
1 874 . 6 1 1 A 79 79 ARG C C 79 173.900 174.874 -0.974 1
1 875 . 6 1 1 A 79 79 ARG CA C 79 55.300 54.519 0.781 1
1 876 . 6 1 1 A 79 79 ARG CB C 79 34.400 34.250 0.150 1
1 879 . 6 1 1 A 79 79 ARG N N 79 119.100 118.304 0.796 1
1 880 . 6 1 1 A 80 80 PHE H H 80 8.970 9.371 -0.401 1
1 881 . 6 1 1 A 80 80 PHE HA H 80 4.720 4.933 -0.213 1
1 889 . 6 1 1 A 80 80 PHE C C 80 172.700 174.773 -2.073 1
1 890 . 6 1 1 A 80 80 PHE CA C 80 56.300 56.225 0.075 1
1 891 . 6 1 1 A 80 80 PHE CB C 80 42.600 43.102 -0.502 1
1 897 . 6 1 1 A 80 80 PHE N N 80 119.200 121.095 -1.895 1
1 898 . 6 1 1 A 81 81 LYS H H 81 9.350 8.284 1.066 1
1 899 . 6 1 1 A 81 81 LYS HA H 81 4.800 4.771 0.029 1
1 908 . 6 1 1 A 81 81 LYS C C 81 174.500 175.650 -1.150 1
1 909 . 6 1 1 A 81 81 LYS CA C 81 55.600 54.985 0.615 1
1 910 . 6 1 1 A 81 81 LYS CB C 81 35.200 33.745 1.455 1
1 914 . 6 1 1 A 81 81 LYS N N 81 124.500 121.486 3.014 1
1 915 . 6 1 1 A 82 82 PHE H H 82 8.840 8.315 0.525 1
1 916 . 6 1 1 A 82 82 PHE HA H 82 4.550 3.946 0.604 1
1 924 . 6 1 1 A 82 82 PHE C C 82 173.200 174.951 -1.751 1
1 925 . 6 1 1 A 82 82 PHE CA C 82 57.800 57.126 0.674 1
1 926 . 6 1 1 A 82 82 PHE CB C 82 40.100 39.213 0.887 1
1 932 . 6 1 1 A 82 82 PHE N N 82 127.900 122.237 5.663 1
1 933 . 6 1 1 A 83 83 GLU H H 83 7.590 7.525 0.065 1
1 934 . 6 1 1 A 83 83 GLU HA H 83 4.120 3.903 0.217 1
1 939 . 6 1 1 A 83 83 GLU C C 83 177.500 174.838 2.662 1
1 940 . 6 1 1 A 83 83 GLU CA C 83 58.900 58.120 0.780 1
1 941 . 6 1 1 A 83 83 GLU CB C 83 29.900 27.562 2.338 1
1 943 . 6 1 1 A 83 83 GLU N N 83 119.400 115.533 3.867 1
1 944 . 6 1 1 A 84 84 VAL H H 84 7.470 8.080 -0.610 1
1 945 . 6 1 1 A 84 84 VAL HA H 84 4.770 4.568 0.202 1
1 953 . 6 1 1 A 84 84 VAL C C 84 177.100 175.893 1.207 1
1 954 . 6 1 1 A 84 84 VAL CA C 84 58.500 59.551 -1.051 1
1 955 . 6 1 1 A 84 84 VAL CB C 84 36.000 35.075 0.925 1
1 958 . 6 1 1 A 84 84 VAL N N 84 108.000 115.444 -7.444 1
1 959 . 6 1 1 A 85 85 SER H H 85 8.980 9.046 -0.066 1
1 960 . 6 1 1 A 85 85 SER HA H 85 4.160 4.141 0.019 1
1 963 . 6 1 1 A 85 85 SER C C 85 176.900 176.519 0.381 1
1 964 . 6 1 1 A 85 85 SER CA C 85 61.200 61.562 -0.362 1
1 965 . 6 1 1 A 85 85 SER CB C 85 62.600 62.441 0.159 1
1 966 . 6 1 1 A 85 85 SER N N 85 120.300 120.971 -0.671 1
1 967 . 6 1 1 A 86 86 ALA H H 86 8.370 8.287 0.083 1
1 968 . 6 1 1 A 86 86 ALA HA H 86 4.000 3.994 0.006 1
1 972 . 6 1 1 A 86 86 ALA C C 86 180.500 179.930 0.570 1
1 973 . 6 1 1 A 86 86 ALA CA C 86 55.600 55.442 0.158 1
1 974 . 6 1 1 A 86 86 ALA CB C 86 18.500 18.520 -0.020 1
1 975 . 6 1 1 A 86 86 ALA N N 86 121.800 122.759 -0.959 1
1 976 . 6 1 1 A 87 87 GLU H H 87 6.920 7.853 -0.933 1
1 977 . 6 1 1 A 87 87 GLU HA H 87 3.640 3.861 -0.221 1
1 982 . 6 1 1 A 87 87 GLU C C 87 176.700 178.756 -2.056 1
1 983 . 6 1 1 A 87 87 GLU CA C 87 58.000 59.028 -1.028 1
1 984 . 6 1 1 A 87 87 GLU CB C 87 29.300 28.868 0.432 1
1 986 . 6 1 1 A 87 87 GLU N N 87 114.800 118.159 -3.359 1
1 987 . 6 1 1 A 88 88 LYS H H 88 6.520 8.235 -1.715 1
1 988 . 6 1 1 A 88 88 LYS HA H 88 3.140 3.972 -0.832 1
1 997 . 6 1 1 A 88 88 LYS C C 88 178.100 178.926 -0.826 1
1 998 . 6 1 1 A 88 88 LYS CA C 88 59.700 59.214 0.486 1
1 999 . 6 1 1 A 88 88 LYS CB C 88 32.300 32.105 0.195 1
1 1003 . 6 1 1 A 88 88 LYS N N 88 119.900 121.146 -1.246 1
1 1004 . 6 1 1 A 89 89 LEU H H 89 7.920 7.766 0.154 1
1 1005 . 6 1 1 A 89 89 LEU HA H 89 4.080 4.028 0.052 1
1 1015 . 6 1 1 A 89 89 LEU C C 89 179.900 179.317 0.583 1
1 1016 . 6 1 1 A 89 89 LEU CA C 89 58.000 57.966 0.034 1
1 1017 . 6 1 1 A 89 89 LEU CB C 89 41.500 41.732 -0.232 1
1 1021 . 6 1 1 A 89 89 LEU N N 89 118.200 118.827 -0.627 1
1 1022 . 6 1 1 A 90 90 ILE H H 90 7.570 7.615 -0.045 1
1 1023 . 6 1 1 A 90 90 ILE HA H 90 3.710 3.609 0.101 1
1 1033 . 6 1 1 A 90 90 ILE C C 90 178.000 178.307 -0.307 1
1 1034 . 6 1 1 A 90 90 ILE CA C 90 64.700 64.915 -0.215 1
1 1035 . 6 1 1 A 90 90 ILE CB C 90 37.600 37.691 -0.091 1
1 1039 . 6 1 1 A 90 90 ILE N N 90 120.400 119.318 1.082 1
1 1040 . 6 1 1 A 91 91 PHE H H 91 8.180 8.877 -0.697 1
1 1041 . 6 1 1 A 91 91 PHE HA H 91 3.920 3.844 0.076 1
1 1049 . 6 1 1 A 91 91 PHE C C 91 177.200 177.244 -0.044 1
1 1050 . 6 1 1 A 91 91 PHE CA C 91 61.600 61.280 0.320 1
1 1051 . 6 1 1 A 91 91 PHE CB C 91 39.600 39.205 0.395 1
1 1057 . 6 1 1 A 91 91 PHE N N 91 120.100 119.965 0.135 1
1 1058 . 6 1 1 A 92 92 GLU H H 92 8.470 8.499 -0.029 1
1 1059 . 6 1 1 A 92 92 GLU HA H 92 3.620 4.036 -0.416 1
1 1064 . 6 1 1 A 92 92 GLU C C 92 179.100 178.462 0.638 1
1 1065 . 6 1 1 A 92 92 GLU CA C 92 60.100 59.136 0.964 1
1 1066 . 6 1 1 A 92 92 GLU CB C 92 29.300 29.427 -0.127 1
1 1068 . 6 1 1 A 92 92 GLU N N 92 118.800 119.472 -0.672 1
1 1069 . 6 1 1 A 93 93 LEU H H 93 7.980 7.978 0.002 1
1 1070 . 6 1 1 A 93 93 LEU HA H 93 4.000 3.972 0.028 1
1 1080 . 6 1 1 A 93 93 LEU C C 93 180.600 178.462 2.138 1
1 1081 . 6 1 1 A 93 93 LEU CA C 93 58.300 58.158 0.142 1
1 1082 . 6 1 1 A 93 93 LEU CB C 93 41.700 41.664 0.036 1
1 1086 . 6 1 1 A 93 93 LEU N N 93 120.800 121.185 -0.385 1
1 1087 . 6 1 1 A 94 94 LYS H H 94 8.340 7.939 0.401 1
1 1088 . 6 1 1 A 94 94 LYS HA H 94 3.990 3.824 0.166 1
1 1097 . 6 1 1 A 94 94 LYS C C 94 179.600 179.180 0.420 1
1 1098 . 6 1 1 A 94 94 LYS CA C 94 59.200 59.178 0.022 1
1 1099 . 6 1 1 A 94 94 LYS CB C 94 33.100 32.031 1.069 1
1 1103 . 6 1 1 A 94 94 LYS N N 94 119.300 118.337 0.963 1
1 1104 . 6 1 1 A 95 95 THR H H 95 8.100 7.850 0.250 1
1 1105 . 6 1 1 A 95 95 THR HA H 95 3.640 3.473 0.167 1
1 1110 . 6 1 1 A 95 95 THR C C 95 176.800 176.443 0.357 1
1 1111 . 6 1 1 A 95 95 THR CA C 95 63.800 65.304 -1.504 1
1 1112 . 6 1 1 A 95 95 THR CB C 95 68.900 67.493 1.407 1
1 1114 . 6 1 1 A 95 95 THR N N 95 109.700 112.216 -2.516 1
1 1115 . 6 1 1 A 96 96 ARG H H 96 7.570 7.936 -0.366 1
1 1116 . 6 1 1 A 96 96 ARG HA H 96 4.060 4.069 -0.009 1
1 1124 . 6 1 1 A 96 96 ARG C C 96 178.300 178.553 -0.253 1
1 1125 . 6 1 1 A 96 96 ARG CA C 96 59.500 59.059 0.441 1
1 1126 . 6 1 1 A 96 96 ARG CB C 96 29.800 29.809 -0.009 1
1 1130 . 6 1 1 A 96 96 ARG N N 96 123.200 122.297 0.903 1
1 1132 . 6 1 1 A 97 97 ALA H H 97 7.520 7.554 -0.034 1
1 1133 . 6 1 1 A 97 97 ALA HA H 97 4.130 4.125 0.005 1
1 1137 . 6 1 1 A 97 97 ALA C C 97 179.500 179.275 0.225 1
1 1138 . 6 1 1 A 97 97 ALA CA C 97 54.100 54.401 -0.301 1
1 1139 . 6 1 1 A 97 97 ALA CB C 97 18.200 18.527 -0.327 1
1 1140 . 6 1 1 A 97 97 ALA N N 97 119.700 122.548 -2.848 1
1 1141 . 6 1 1 A 98 98 LEU H H 98 7.370 7.456 -0.086 1
1 1142 . 6 1 1 A 98 98 LEU HA H 98 4.070 4.154 -0.084 1
1 1152 . 6 1 1 A 98 98 LEU C C 98 178.800 179.303 -0.503 1
1 1153 . 6 1 1 A 98 98 LEU CA C 98 56.500 56.554 -0.054 1
1 1154 . 6 1 1 A 98 98 LEU CB C 98 41.700 41.702 -0.002 1
1 1158 . 6 1 1 A 98 98 LEU N N 98 118.300 116.474 1.826 1
1 1159 . 6 1 1 A 99 99 ALA H H 99 7.940 7.817 0.123 1
1 1160 . 6 1 1 A 99 99 ALA HA H 99 4.250 4.207 0.043 1
1 1164 . 6 1 1 A 99 99 ALA C C 99 179.100 179.348 -0.248 1
1 1165 . 6 1 1 A 99 99 ALA CA C 99 53.600 55.009 -1.409 1
1 1166 . 6 1 1 A 99 99 ALA CB C 99 18.600 18.599 0.001 1
1 1167 . 6 1 1 A 99 99 ALA N N 99 122.100 122.491 -0.391 1
1 1168 . 6 1 1 A 100 100 ARG H H 100 7.840 7.847 -0.007 1
1 1169 . 6 1 1 A 100 100 ARG HA H 100 4.210 4.163 0.047 1
1 1176 . 6 1 1 A 100 100 ARG C C 100 177.100 176.800 0.300 1
1 1177 . 6 1 1 A 100 100 ARG CA C 100 57.100 58.647 -1.547 1
1 1178 . 6 1 1 A 100 100 ARG CB C 100 30.300 30.259 0.041 1
1 1181 . 6 1 1 A 100 100 ARG N N 100 117.900 115.479 2.421 1
1 1182 . 6 1 1 A 101 101 LEU H H 101 7.890 7.607 0.283 1
1 1183 . 6 1 1 A 101 101 LEU HA H 101 4.240 4.235 0.005 1
1 1193 . 6 1 1 A 101 101 LEU C C 101 177.800 177.005 0.795 1
1 1194 . 6 1 1 A 101 101 LEU CA C 101 55.700 55.633 0.067 1
1 1195 . 6 1 1 A 101 101 LEU CB C 101 41.900 42.707 -0.807 1
1 1199 . 6 1 1 A 101 101 LEU N N 101 120.800 121.446 -0.646 1
1 1200 . 6 1 1 A 102 102 GLU H H 102 8.040 8.745 -0.705 1
1 1201 . 6 1 1 A 102 102 GLU HA H 102 4.240 4.458 -0.218 1
1 1206 . 6 1 1 A 102 102 GLU C C 102 176.500 175.890 0.610 1
1 1207 . 6 1 1 A 102 102 GLU CA C 102 56.600 56.147 0.453 1
1 1208 . 6 1 1 A 102 102 GLU CB C 102 30.000 31.860 -1.860 1
1 1210 . 6 1 1 A 102 102 GLU N N 102 120.100 123.448 -3.348 1
1 1211 . 6 1 1 A 103 103 HIS H H 103 8.200 9.242 -1.042 1
1 1212 . 6 1 1 A 103 103 HIS HA H 103 4.540 4.122 0.418 1
1 1216 . 6 1 1 A 103 103 HIS CA C 103 56.100 58.582 -2.482 1
1 1217 . 6 1 1 A 103 103 HIS CB C 103 29.900 28.572 1.328 1
1 1218 . 6 1 1 A 103 103 HIS N N 103 119.200 125.884 -6.684 1
1 1219 . 6 1 1 A 107 107 HIS HA H 107 4.560 4.404 0.156 1
1 1222 . 6 1 1 A 107 107 HIS C C 107 173.800 174.614 -0.814 1
1 1223 . 6 1 1 A 107 107 HIS CA C 107 55.800 58.317 -2.517 1
1 1224 . 6 1 1 A 107 107 HIS CB C 107 29.900 28.540 1.360 1
1 1 . 7 1 1 A 4 4 GLN HA H 4 4.360 3.926 0.434 1
1 7 . 7 1 1 A 4 4 GLN C C 4 176.100 174.725 1.375 1
1 8 . 7 1 1 A 4 4 GLN CA C 4 56.000 57.016 -1.016 1
1 9 . 7 1 1 A 4 4 GLN CB C 4 29.300 26.631 2.669 1
1 11 . 7 1 1 A 5 5 THR H H 5 8.280 7.852 0.428 1
1 12 . 7 1 1 A 5 5 THR HA H 5 4.320 4.198 0.122 1
1 17 . 7 1 1 A 5 5 THR C C 5 174.300 174.554 -0.254 1
1 18 . 7 1 1 A 5 5 THR CA C 5 62.200 61.945 0.255 1
1 19 . 7 1 1 A 5 5 THR CB C 5 69.600 68.922 0.678 1
1 21 . 7 1 1 A 5 5 THR N N 5 115.700 114.585 1.115 1
1 22 . 7 1 1 A 6 6 CYS H H 6 8.410 8.758 -0.348 1
1 23 . 7 1 1 A 6 6 CYS HA H 6 4.540 4.338 0.202 1
1 26 . 7 1 1 A 6 6 CYS C C 6 174.400 177.183 -2.783 1
1 27 . 7 1 1 A 6 6 CYS CA C 6 58.200 61.434 -3.234 1
1 28 . 7 1 1 A 6 6 CYS CB C 6 27.800 27.630 0.170 1
1 29 . 7 1 1 A 6 6 CYS N N 6 121.900 128.886 -6.986 1
1 30 . 7 1 1 A 7 7 VAL H H 7 8.290 8.154 0.136 1
1 31 . 7 1 1 A 7 7 VAL HA H 7 4.090 4.143 -0.053 1
1 39 . 7 1 1 A 7 7 VAL C C 7 176.100 175.859 0.241 1
1 40 . 7 1 1 A 7 7 VAL CA C 7 62.400 64.677 -2.277 1
1 41 . 7 1 1 A 7 7 VAL CB C 7 32.500 32.546 -0.046 1
1 44 . 7 1 1 A 7 7 VAL N N 7 122.700 119.361 3.339 1
1 45 . 7 1 1 A 8 8 GLU H H 8 8.510 8.103 0.407 1
1 46 . 7 1 1 A 8 8 GLU HA H 8 4.240 4.006 0.234 1
1 51 . 7 1 1 A 8 8 GLU C C 8 176.100 176.305 -0.205 1
1 52 . 7 1 1 A 8 8 GLU CA C 8 56.900 57.239 -0.339 1
1 53 . 7 1 1 A 8 8 GLU CB C 8 30.100 28.219 1.881 1
1 55 . 7 1 1 A 8 8 GLU N N 8 124.300 121.768 2.532 1
1 56 . 7 1 1 A 9 9 ASN H H 9 8.390 8.245 0.145 1
1 57 . 7 1 1 A 9 9 ASN HA H 9 4.650 5.028 -0.378 1
1 62 . 7 1 1 A 9 9 ASN C C 9 174.900 175.179 -0.279 1
1 63 . 7 1 1 A 9 9 ASN CA C 9 53.400 52.606 0.794 1
1 64 . 7 1 1 A 9 9 ASN CB C 9 39.000 39.023 -0.023 1
1 66 . 7 1 1 A 9 9 ASN N N 9 119.300 125.977 -6.677 1
1 68 . 7 1 1 A 10 10 GLU H H 10 8.330 8.401 -0.071 1
1 69 . 7 1 1 A 10 10 GLU HA H 10 4.250 4.349 -0.099 1
1 74 . 7 1 1 A 10 10 GLU C C 10 176.400 176.462 -0.062 1
1 75 . 7 1 1 A 10 10 GLU CA C 10 56.800 57.318 -0.518 1
1 76 . 7 1 1 A 10 10 GLU CB C 10 30.200 30.343 -0.143 1
1 78 . 7 1 1 A 10 10 GLU N N 10 121.400 126.762 -5.362 1
1 79 . 7 1 1 A 11 11 VAL H H 11 8.250 8.645 -0.395 1
1 80 . 7 1 1 A 11 11 VAL HA H 11 4.090 4.439 -0.349 1
1 88 . 7 1 1 A 11 11 VAL C C 11 176.100 174.286 1.814 1
1 89 . 7 1 1 A 11 11 VAL CA C 11 62.400 61.348 1.052 1
1 90 . 7 1 1 A 11 11 VAL CB C 11 32.500 33.684 -1.184 1
1 93 . 7 1 1 A 11 11 VAL N N 11 121.900 122.499 -0.599 1
1 94 . 7 1 1 A 12 12 CYS H H 12 8.450 8.763 -0.313 1
1 95 . 7 1 1 A 12 12 CYS HA H 12 4.500 4.657 -0.157 1
1 98 . 7 1 1 A 12 12 CYS C C 12 174.400 175.522 -1.122 1
1 99 . 7 1 1 A 12 12 CYS CA C 12 58.300 57.853 0.447 1
1 100 . 7 1 1 A 12 12 CYS CB C 12 28.000 29.104 -1.104 1
1 101 . 7 1 1 A 12 12 CYS N N 12 123.800 126.667 -2.867 1
1 102 . 7 1 1 A 13 13 GLU H H 13 8.560 8.782 -0.222 1
1 103 . 7 1 1 A 13 13 GLU HA H 13 4.260 4.310 -0.050 1
1 108 . 7 1 1 A 13 13 GLU C C 13 176.100 175.666 0.434 1
1 109 . 7 1 1 A 13 13 GLU CA C 13 56.700 55.921 0.779 1
1 110 . 7 1 1 A 13 13 GLU CB C 13 30.200 30.046 0.154 1
1 112 . 7 1 1 A 13 13 GLU N N 13 124.100 127.288 -3.188 1
1 113 . 7 1 1 A 14 14 ALA H H 14 8.400 7.516 0.884 1
1 114 . 7 1 1 A 14 14 ALA HA H 14 4.350 4.043 0.307 1
1 118 . 7 1 1 A 14 14 ALA C C 14 177.700 177.309 0.391 1
1 119 . 7 1 1 A 14 14 ALA CA C 14 52.600 53.250 -0.650 1
1 120 . 7 1 1 A 14 14 ALA CB C 14 19.100 17.920 1.180 1
1 121 . 7 1 1 A 14 14 ALA N N 14 125.400 120.830 4.570 1
1 122 . 7 1 1 A 15 15 CYS H H 15 8.370 7.935 0.435 1
1 123 . 7 1 1 A 15 15 CYS HA H 15 4.490 4.191 0.299 1
1 126 . 7 1 1 A 15 15 CYS C C 15 175.100 177.317 -2.217 1
1 127 . 7 1 1 A 15 15 CYS CA C 15 58.400 61.831 -3.431 1
1 128 . 7 1 1 A 15 15 CYS CB C 15 28.000 27.283 0.717 1
1 129 . 7 1 1 A 15 15 CYS N N 15 118.500 115.622 2.878 1
1 130 . 7 1 1 A 16 16 GLY H H 16 8.480 8.316 0.164 1
1 131 . 7 1 1 A 16 16 GLY HA2 H 16 3.970 3.958 0.012 1
1 132 . 7 1 1 A 16 16 GLY HA3 H 16 3.970 3.961 0.009 1
1 133 . 7 1 1 A 16 16 GLY C C 16 174.100 174.683 -0.583 1
1 134 . 7 1 1 A 16 16 GLY CA C 16 45.400 45.733 -0.333 1
1 135 . 7 1 1 A 16 16 GLY N N 16 111.300 106.909 4.391 1
1 136 . 7 1 1 A 17 17 CYS H H 17 8.300 7.567 0.733 1
1 137 . 7 1 1 A 17 17 CYS HA H 17 4.500 4.479 0.021 1
1 140 . 7 1 1 A 17 17 CYS C C 17 174.500 173.372 1.128 1
1 141 . 7 1 1 A 17 17 CYS CA C 17 58.300 58.568 -0.268 1
1 142 . 7 1 1 A 17 17 CYS CB C 17 28.100 25.702 2.398 1
1 143 . 7 1 1 A 17 17 CYS N N 17 118.900 118.506 0.394 1
1 144 . 7 1 1 A 18 18 ALA H H 18 8.520 8.051 0.469 1
1 145 . 7 1 1 A 18 18 ALA HA H 18 4.260 4.502 -0.242 1
1 149 . 7 1 1 A 18 18 ALA C C 18 178.000 177.166 0.834 1
1 150 . 7 1 1 A 18 18 ALA CA C 18 52.900 51.496 1.404 1
1 151 . 7 1 1 A 18 18 ALA CB C 18 19.000 20.626 -1.626 1
1 152 . 7 1 1 A 18 18 ALA N N 18 126.800 122.665 4.135 1
1 153 . 7 1 1 A 19 19 GLY H H 19 8.310 8.885 -0.575 1
1 154 . 7 1 1 A 19 19 GLY HA2 H 19 3.890 3.975 -0.085 1
1 155 . 7 1 1 A 19 19 GLY HA3 H 19 3.890 3.988 -0.098 1
1 156 . 7 1 1 A 19 19 GLY C C 19 174.000 173.892 0.108 1
1 157 . 7 1 1 A 19 19 GLY CA C 19 45.000 44.724 0.276 1
1 158 . 7 1 1 A 19 19 GLY N N 19 108.100 114.606 -6.506 1
1 159 . 7 1 1 A 20 20 GLU H H 20 8.180 8.373 -0.193 1
1 160 . 7 1 1 A 20 20 GLU HA H 20 4.270 4.288 -0.018 1
1 165 . 7 1 1 A 20 20 GLU C C 20 176.400 176.855 -0.455 1
1 166 . 7 1 1 A 20 20 GLU CA C 20 56.200 56.958 -0.758 1
1 167 . 7 1 1 A 20 20 GLU CB C 20 30.100 30.285 -0.185 1
1 169 . 7 1 1 A 20 20 GLU N N 20 120.500 119.990 0.510 1
1 170 . 7 1 1 A 21 21 ILE H H 21 8.160 8.407 -0.247 1
1 171 . 7 1 1 A 21 21 ILE HA H 21 4.020 4.460 -0.440 1
1 181 . 7 1 1 A 21 21 ILE C C 21 176.400 176.418 -0.018 1
1 182 . 7 1 1 A 21 21 ILE CA C 21 61.200 60.083 1.117 1
1 183 . 7 1 1 A 21 21 ILE CB C 21 38.200 39.254 -1.054 1
1 187 . 7 1 1 A 21 21 ILE N N 21 122.000 121.230 0.770 1
1 188 . 7 1 1 A 22 22 GLY H H 22 8.260 9.137 -0.877 1
1 189 . 7 1 1 A 22 22 GLY HA2 H 22 3.740 3.939 -0.199 1
1 190 . 7 1 1 A 22 22 GLY HA3 H 22 3.880 3.957 -0.077 1
1 191 . 7 1 1 A 22 22 GLY C C 22 173.200 174.625 -1.425 1
1 192 . 7 1 1 A 22 22 GLY CA C 22 45.100 45.991 -0.891 1
1 193 . 7 1 1 A 22 22 GLY N N 22 112.500 114.625 -2.125 1
1 194 . 7 1 1 A 23 23 PHE H H 23 7.890 8.093 -0.203 1
1 195 . 7 1 1 A 23 23 PHE HA H 23 4.550 4.263 0.287 1
1 202 . 7 1 1 A 23 23 PHE CA C 23 58.100 59.925 -1.825 1
1 203 . 7 1 1 A 23 23 PHE CB C 23 41.200 39.718 1.482 1
1 206 . 7 1 1 A 23 23 PHE N N 23 119.700 120.875 -1.175 1
1 207 . 7 1 1 A 24 24 ILE HA H 24 3.970 3.907 0.063 1
1 217 . 7 1 1 A 24 24 ILE CA C 24 62.400 62.634 -0.234 1
1 218 . 7 1 1 A 24 24 ILE CB C 24 37.700 37.747 -0.047 1
1 222 . 7 1 1 A 25 25 ILE H H 25 8.950 7.646 1.304 1
1 223 . 7 1 1 A 25 25 ILE HA H 25 3.740 3.618 0.122 1
1 233 . 7 1 1 A 25 25 ILE C C 25 175.200 176.384 -1.184 1
1 234 . 7 1 1 A 25 25 ILE CA C 25 62.700 64.658 -1.958 1
1 235 . 7 1 1 A 25 25 ILE CB C 25 38.200 37.348 0.852 1
1 239 . 7 1 1 A 25 25 ILE N N 25 124.800 120.644 4.156 1
1 240 . 7 1 1 A 26 26 ARG H H 26 8.040 7.682 0.358 1
1 241 . 7 1 1 A 26 26 ARG HA H 26 4.140 3.947 0.193 1
1 248 . 7 1 1 A 26 26 ARG C C 26 175.900 175.293 0.607 1
1 249 . 7 1 1 A 26 26 ARG CA C 26 55.300 58.074 -2.774 1
1 250 . 7 1 1 A 26 26 ARG CB C 26 31.100 28.953 2.147 1
1 253 . 7 1 1 A 26 26 ARG N N 26 128.100 120.043 8.057 1
1 254 . 7 1 1 A 27 27 GLU H H 27 8.560 8.550 0.010 1
1 255 . 7 1 1 A 27 27 GLU HA H 27 4.030 4.413 -0.383 1
1 260 . 7 1 1 A 27 27 GLU C C 27 176.300 175.805 0.495 1
1 261 . 7 1 1 A 27 27 GLU CA C 27 57.000 55.505 1.495 1
1 262 . 7 1 1 A 27 27 GLU CB C 27 30.000 28.467 1.533 1
1 264 . 7 1 1 A 27 27 GLU N N 27 123.500 122.477 1.023 1
1 265 . 7 1 1 A 28 28 GLY H H 28 8.420 8.539 -0.119 1
1 266 . 7 1 1 A 28 28 GLY HA2 H 28 4.050 4.075 -0.025 1
1 267 . 7 1 1 A 28 28 GLY HA3 H 28 4.220 4.079 0.141 1
1 268 . 7 1 1 A 28 28 GLY C C 28 174.000 174.573 -0.573 1
1 269 . 7 1 1 A 28 28 GLY CA C 28 45.400 44.395 1.005 1
1 270 . 7 1 1 A 28 28 GLY N N 28 108.300 113.788 -5.488 1
1 271 . 7 1 1 A 29 29 ASP H H 29 8.690 8.635 0.055 1
1 272 . 7 1 1 A 29 29 ASP HA H 29 4.430 4.305 0.125 1
1 275 . 7 1 1 A 29 29 ASP C C 29 175.200 176.543 -1.343 1
1 276 . 7 1 1 A 29 29 ASP CA C 29 56.300 56.588 -0.288 1
1 277 . 7 1 1 A 29 29 ASP CB C 29 40.300 40.644 -0.344 1
1 278 . 7 1 1 A 29 29 ASP N N 29 119.800 119.071 0.729 1
1 279 . 7 1 1 A 30 30 ASP H H 30 8.630 8.246 0.384 1
1 280 . 7 1 1 A 30 30 ASP HA H 30 4.260 4.674 -0.414 1
1 283 . 7 1 1 A 30 30 ASP C C 30 174.300 175.388 -1.088 1
1 284 . 7 1 1 A 30 30 ASP CA C 30 52.600 53.308 -0.708 1
1 285 . 7 1 1 A 30 30 ASP CB C 30 39.200 40.168 -0.968 1
1 286 . 7 1 1 A 30 30 ASP N N 30 114.900 115.085 -0.185 1
1 287 . 7 1 1 A 31 31 VAL H H 31 7.550 7.345 0.205 1
1 288 . 7 1 1 A 31 31 VAL HA H 31 5.300 4.499 0.801 1
1 296 . 7 1 1 A 31 31 VAL C C 31 175.800 175.018 0.782 1
1 297 . 7 1 1 A 31 31 VAL CA C 31 60.700 61.041 -0.341 1
1 298 . 7 1 1 A 31 31 VAL CB C 31 35.000 34.255 0.745 1
1 301 . 7 1 1 A 31 31 VAL N N 31 120.500 119.840 0.660 1
1 302 . 7 1 1 A 32 32 ALA H H 32 9.580 9.628 -0.048 1
1 303 . 7 1 1 A 32 32 ALA HA H 32 5.030 5.236 -0.206 1
1 307 . 7 1 1 A 32 32 ALA C C 32 175.800 175.926 -0.126 1
1 308 . 7 1 1 A 32 32 ALA CA C 32 50.000 50.568 -0.568 1
1 309 . 7 1 1 A 32 32 ALA CB C 32 22.800 21.186 1.614 1
1 310 . 7 1 1 A 32 32 ALA N N 32 130.500 130.246 0.254 1
1 311 . 7 1 1 A 33 33 GLU H H 33 9.270 8.814 0.456 1
1 312 . 7 1 1 A 33 33 GLU HA H 33 5.140 4.911 0.229 1
1 317 . 7 1 1 A 33 33 GLU C C 33 175.900 175.406 0.494 1
1 318 . 7 1 1 A 33 33 GLU CA C 33 55.300 55.350 -0.050 1
1 319 . 7 1 1 A 33 33 GLU CB C 33 31.500 31.986 -0.486 1
1 321 . 7 1 1 A 33 33 GLU N N 33 124.500 121.521 2.979 1
1 322 . 7 1 1 A 34 34 VAL H H 34 9.140 8.690 0.450 1
1 323 . 7 1 1 A 34 34 VAL HA H 34 4.580 5.004 -0.424 1
1 331 . 7 1 1 A 34 34 VAL C C 34 174.300 174.609 -0.309 1
1 332 . 7 1 1 A 34 34 VAL CA C 34 60.800 60.870 -0.070 1
1 333 . 7 1 1 A 34 34 VAL CB C 34 35.700 34.695 1.005 1
1 336 . 7 1 1 A 34 34 VAL N N 34 124.700 127.324 -2.624 1
1 337 . 7 1 1 A 35 35 SER H H 35 8.450 9.024 -0.574 1
1 338 . 7 1 1 A 35 35 SER HA H 35 5.060 5.123 -0.063 1
1 341 . 7 1 1 A 35 35 SER C C 35 172.100 172.414 -0.314 1
1 342 . 7 1 1 A 35 35 SER CA C 35 56.900 56.877 0.023 1
1 343 . 7 1 1 A 35 35 SER CB C 35 64.800 65.369 -0.569 1
1 344 . 7 1 1 A 35 35 SER N N 35 122.100 122.438 -0.338 1
1 345 . 7 1 1 A 36 36 LEU H H 36 8.540 8.497 0.043 1
1 346 . 7 1 1 A 36 36 LEU HA H 36 4.570 5.196 -0.626 1
1 356 . 7 1 1 A 36 36 LEU C C 36 174.200 173.954 0.246 1
1 357 . 7 1 1 A 36 36 LEU CA C 36 52.600 52.695 -0.095 1
1 358 . 7 1 1 A 36 36 LEU CB C 36 45.600 45.967 -0.367 1
1 362 . 7 1 1 A 36 36 LEU N N 36 123.600 126.420 -2.820 1
1 363 . 7 1 1 A 37 37 PHE H H 37 8.400 9.059 -0.659 1
1 364 . 7 1 1 A 37 37 PHE HA H 37 5.300 5.489 -0.189 1
1 369 . 7 1 1 A 37 37 PHE C C 37 175.600 176.496 -0.896 1
1 370 . 7 1 1 A 37 37 PHE CA C 37 56.300 55.502 0.798 1
1 371 . 7 1 1 A 37 37 PHE CB C 37 42.000 41.944 0.056 1
1 374 . 7 1 1 A 37 37 PHE N N 37 118.300 125.025 -6.725 1
1 375 . 7 1 1 A 38 38 GLY H H 38 8.340 8.201 0.139 1
1 376 . 7 1 1 A 38 38 GLY HA2 H 38 3.750 4.288 -0.538 1
1 377 . 7 1 1 A 38 38 GLY HA3 H 38 4.210 4.290 -0.080 1
1 378 . 7 1 1 A 38 38 GLY CA C 38 45.600 45.681 -0.081 1
1 379 . 7 1 1 A 38 38 GLY N N 38 109.300 109.443 -0.143 1
1 380 . 7 1 1 A 39 39 SER HA H 39 4.210 4.557 -0.347 1
1 383 . 7 1 1 A 39 39 SER C C 39 173.700 173.904 -0.204 1
1 384 . 7 1 1 A 39 39 SER CA C 39 60.100 60.939 -0.839 1
1 385 . 7 1 1 A 39 39 SER CB C 39 63.900 63.447 0.453 1
1 386 . 7 1 1 A 40 40 ASP H H 40 7.670 8.269 -0.599 1
1 387 . 7 1 1 A 40 40 ASP HA H 40 4.810 4.859 -0.049 1
1 390 . 7 1 1 A 40 40 ASP C C 40 175.500 176.545 -1.045 1
1 391 . 7 1 1 A 40 40 ASP CA C 40 52.900 53.319 -0.419 1
1 392 . 7 1 1 A 40 40 ASP CB C 40 41.300 42.891 -1.591 1
1 393 . 7 1 1 A 40 40 ASP N N 40 115.800 119.511 -3.711 1
1 394 . 7 1 1 A 41 41 LYS H H 41 8.260 8.720 -0.460 1
1 395 . 7 1 1 A 41 41 LYS HA H 41 3.780 3.916 -0.136 1
1 404 . 7 1 1 A 41 41 LYS C C 41 177.100 178.081 -0.981 1
1 405 . 7 1 1 A 41 41 LYS CA C 41 60.500 59.500 1.000 1
1 406 . 7 1 1 A 41 41 LYS CB C 41 33.400 31.966 1.434 1
1 410 . 7 1 1 A 41 41 LYS N N 41 120.200 126.208 -6.008 1
1 411 . 7 1 1 A 42 42 ALA H H 42 8.420 7.749 0.671 1
1 412 . 7 1 1 A 42 42 ALA HA H 42 4.180 4.088 0.092 1
1 416 . 7 1 1 A 42 42 ALA C C 42 181.900 179.210 2.690 1
1 417 . 7 1 1 A 42 42 ALA CA C 42 55.400 55.025 0.375 1
1 418 . 7 1 1 A 42 42 ALA CB C 42 17.700 18.615 -0.915 1
1 419 . 7 1 1 A 42 42 ALA N N 42 120.700 121.554 -0.854 1
1 420 . 7 1 1 A 43 43 HIS H H 43 8.490 7.874 0.616 1
1 421 . 7 1 1 A 43 43 HIS HA H 43 4.330 4.337 -0.007 1
1 424 . 7 1 1 A 43 43 HIS C C 43 178.800 177.950 0.850 1
1 425 . 7 1 1 A 43 43 HIS CA C 43 59.600 59.645 -0.045 1
1 426 . 7 1 1 A 43 43 HIS CB C 43 30.300 30.062 0.238 1
1 427 . 7 1 1 A 43 43 HIS N N 43 118.000 116.103 1.897 1
1 428 . 7 1 1 A 44 44 LEU H H 44 8.340 8.122 0.218 1
1 429 . 7 1 1 A 44 44 LEU HA H 44 3.750 3.770 -0.020 1
1 439 . 7 1 1 A 44 44 LEU C C 44 178.500 179.272 -0.772 1
1 440 . 7 1 1 A 44 44 LEU CA C 44 58.200 58.000 0.200 1
1 441 . 7 1 1 A 44 44 LEU CB C 44 42.100 41.464 0.636 1
1 445 . 7 1 1 A 44 44 LEU N N 44 121.500 119.611 1.889 1
1 446 . 7 1 1 A 45 45 GLU H H 45 8.880 8.839 0.041 1
1 447 . 7 1 1 A 45 45 GLU HA H 45 3.750 4.030 -0.280 1
1 452 . 7 1 1 A 45 45 GLU C C 45 180.200 179.948 0.252 1
1 453 . 7 1 1 A 45 45 GLU CA C 45 60.000 59.465 0.535 1
1 454 . 7 1 1 A 45 45 GLU CB C 45 29.000 29.203 -0.203 1
1 456 . 7 1 1 A 45 45 GLU N N 45 118.300 118.418 -0.118 1
1 457 . 7 1 1 A 46 46 GLY H H 46 7.970 8.470 -0.500 1
1 458 . 7 1 1 A 46 46 GLY HA2 H 46 3.920 3.814 0.106 1
1 459 . 7 1 1 A 46 46 GLY HA3 H 46 3.920 3.822 0.098 1
1 460 . 7 1 1 A 46 46 GLY C C 46 176.500 176.022 0.478 1
1 461 . 7 1 1 A 46 46 GLY CA C 46 46.900 47.510 -0.610 1
1 462 . 7 1 1 A 46 46 GLY N N 46 108.100 109.560 -1.460 1
1 463 . 7 1 1 A 47 47 LYS H H 47 7.690 7.927 -0.237 1
1 464 . 7 1 1 A 47 47 LYS HA H 47 4.320 4.090 0.230 1
1 473 . 7 1 1 A 47 47 LYS C C 47 179.400 179.501 -0.101 1
1 474 . 7 1 1 A 47 47 LYS CA C 47 58.400 59.247 -0.847 1
1 475 . 7 1 1 A 47 47 LYS CB C 47 32.100 31.840 0.260 1
1 479 . 7 1 1 A 47 47 LYS N N 47 122.400 122.432 -0.032 1
1 480 . 7 1 1 A 48 48 LEU H H 48 8.550 7.804 0.746 1
1 481 . 7 1 1 A 48 48 LEU HA H 48 3.980 3.950 0.030 1
1 491 . 7 1 1 A 48 48 LEU C C 48 178.300 178.227 0.073 1
1 492 . 7 1 1 A 48 48 LEU CA C 48 57.900 57.804 0.096 1
1 493 . 7 1 1 A 48 48 LEU CB C 48 40.800 41.321 -0.521 1
1 497 . 7 1 1 A 48 48 LEU N N 48 120.600 121.886 -1.286 1
1 498 . 7 1 1 A 49 49 ALA H H 49 7.810 8.081 -0.271 1
1 499 . 7 1 1 A 49 49 ALA HA H 49 4.000 3.966 0.034 1
1 503 . 7 1 1 A 49 49 ALA C C 49 180.400 180.178 0.222 1
1 504 . 7 1 1 A 49 49 ALA CA C 49 55.600 55.505 0.095 1
1 505 . 7 1 1 A 49 49 ALA CB C 49 17.900 18.253 -0.353 1
1 506 . 7 1 1 A 49 49 ALA N N 49 120.000 120.642 -0.642 1
1 507 . 7 1 1 A 50 50 GLU H H 50 7.520 8.003 -0.483 1
1 508 . 7 1 1 A 50 50 GLU HA H 50 4.130 4.125 0.005 1
1 513 . 7 1 1 A 50 50 GLU C C 50 179.600 179.326 0.274 1
1 514 . 7 1 1 A 50 50 GLU CA C 50 59.200 58.639 0.561 1
1 515 . 7 1 1 A 50 50 GLU CB C 50 29.800 29.622 0.178 1
1 517 . 7 1 1 A 50 50 GLU N N 50 117.300 119.201 -1.901 1
1 518 . 7 1 1 A 51 51 TYR H H 51 7.860 8.194 -0.334 1
1 519 . 7 1 1 A 51 51 TYR HA H 51 3.900 4.276 -0.376 1
1 526 . 7 1 1 A 51 51 TYR C C 51 177.900 178.459 -0.559 1
1 527 . 7 1 1 A 51 51 TYR CA C 51 62.400 60.956 1.444 1
1 528 . 7 1 1 A 51 51 TYR CB C 51 38.200 38.194 0.006 1
1 533 . 7 1 1 A 51 51 TYR N N 51 120.300 119.443 0.857 1
1 534 . 7 1 1 A 52 52 ILE H H 52 8.590 8.169 0.421 1
1 535 . 7 1 1 A 52 52 ILE HA H 52 3.420 3.544 -0.124 1
1 545 . 7 1 1 A 52 52 ILE C C 52 177.400 178.082 -0.682 1
1 546 . 7 1 1 A 52 52 ILE CA C 52 66.200 65.248 0.952 1
1 547 . 7 1 1 A 52 52 ILE CB C 52 38.200 38.045 0.155 1
1 551 . 7 1 1 A 52 52 ILE N N 52 120.100 120.821 -0.721 1
1 552 . 7 1 1 A 53 53 SER H H 53 7.860 7.755 0.105 1
1 553 . 7 1 1 A 53 53 SER HA H 53 4.080 4.057 0.023 1
1 556 . 7 1 1 A 53 53 SER C C 53 177.700 176.663 1.037 1
1 557 . 7 1 1 A 53 53 SER CA C 53 61.800 62.390 -0.590 1
1 558 . 7 1 1 A 53 53 SER CB C 53 62.600 62.952 -0.352 1
1 559 . 7 1 1 A 53 53 SER N N 53 113.100 116.079 -2.979 1
1 560 . 7 1 1 A 54 54 LEU H H 54 7.610 7.864 -0.254 1
1 561 . 7 1 1 A 54 54 LEU HA H 54 4.090 4.085 0.005 1
1 571 . 7 1 1 A 54 54 LEU C C 54 178.600 179.032 -0.432 1
1 572 . 7 1 1 A 54 54 LEU CA C 54 58.000 57.585 0.415 1
1 573 . 7 1 1 A 54 54 LEU CB C 54 42.200 41.202 0.998 1
1 577 . 7 1 1 A 54 54 LEU N N 54 121.200 121.599 -0.399 1
1 578 . 7 1 1 A 55 55 ALA H H 55 8.640 8.600 0.040 1
1 579 . 7 1 1 A 55 55 ALA HA H 55 3.860 4.427 -0.567 1
1 583 . 7 1 1 A 55 55 ALA C C 55 179.100 179.832 -0.732 1
1 584 . 7 1 1 A 55 55 ALA CA C 55 56.200 55.935 0.265 1
1 585 . 7 1 1 A 55 55 ALA CB C 55 19.000 19.062 -0.062 1
1 586 . 7 1 1 A 55 55 ALA N N 55 121.900 122.187 -0.287 1
1 587 . 7 1 1 A 56 56 LYS H H 56 8.120 7.840 0.280 1
1 588 . 7 1 1 A 56 56 LYS HA H 56 4.220 4.295 -0.075 1
1 597 . 7 1 1 A 56 56 LYS C C 56 178.800 179.747 -0.947 1
1 598 . 7 1 1 A 56 56 LYS CA C 56 58.300 59.600 -1.300 1
1 599 . 7 1 1 A 56 56 LYS CB C 56 32.900 32.248 0.652 1
1 603 . 7 1 1 A 56 56 LYS N N 56 115.600 117.363 -1.763 1
1 604 . 7 1 1 A 57 57 GLN H H 57 7.590 7.661 -0.071 1
1 605 . 7 1 1 A 57 57 GLN HA H 57 4.010 4.049 -0.039 1
1 612 . 7 1 1 A 57 57 GLN C C 57 178.300 179.083 -0.783 1
1 613 . 7 1 1 A 57 57 GLN CA C 57 58.400 58.885 -0.485 1
1 614 . 7 1 1 A 57 57 GLN CB C 57 28.600 28.285 0.315 1
1 617 . 7 1 1 A 57 57 GLN N N 57 117.900 118.996 -1.096 1
1 619 . 7 1 1 A 58 58 VAL H H 58 7.650 7.925 -0.275 1
1 620 . 7 1 1 A 58 58 VAL HA H 58 3.750 3.812 -0.062 1
1 628 . 7 1 1 A 58 58 VAL C C 58 176.400 175.681 0.719 1
1 629 . 7 1 1 A 58 58 VAL CA C 58 65.500 66.043 -0.543 1
1 630 . 7 1 1 A 58 58 VAL CB C 58 32.000 32.219 -0.219 1
1 633 . 7 1 1 A 58 58 VAL N N 58 120.200 117.996 2.204 1
1 634 . 7 1 1 A 59 59 TYR H H 59 8.700 8.187 0.513 1
1 635 . 7 1 1 A 59 59 TYR HA H 59 5.040 4.918 0.122 1
1 642 . 7 1 1 A 59 59 TYR C C 59 174.100 173.966 0.134 1
1 643 . 7 1 1 A 59 59 TYR CA C 59 55.500 57.614 -2.114 1
1 644 . 7 1 1 A 59 59 TYR CB C 59 40.500 41.871 -1.371 1
1 649 . 7 1 1 A 59 59 TYR N N 59 120.400 119.205 1.195 1
1 650 . 7 1 1 A 60 60 ALA H H 60 8.900 7.591 1.309 1
1 651 . 7 1 1 A 60 60 ALA HA H 60 4.230 4.253 -0.023 1
1 655 . 7 1 1 A 60 60 ALA CA C 60 55.400 50.748 4.652 1
1 656 . 7 1 1 A 60 60 ALA CB C 60 18.100 19.468 -1.368 1
1 657 . 7 1 1 A 60 60 ALA N N 60 131.000 126.516 4.484 1
1 658 . 7 1 1 A 61 61 ASN H H 61 5.430 8.487 -3.057 1
1 659 . 7 1 1 A 61 61 ASN HA H 61 4.760 4.583 0.177 1
1 664 . 7 1 1 A 61 61 ASN C C 61 173.200 174.966 -1.766 1
1 665 . 7 1 1 A 61 61 ASN CA C 61 51.800 53.630 -1.830 1
1 666 . 7 1 1 A 61 61 ASN CB C 61 37.600 37.774 -0.174 1
1 668 . 7 1 1 A 61 61 ASN N N 61 111.100 116.271 -5.171 1
1 670 . 7 1 1 A 62 62 VAL H H 62 6.870 8.850 -1.980 1
1 671 . 7 1 1 A 62 62 VAL HA H 62 3.730 4.954 -1.224 1
1 679 . 7 1 1 A 62 62 VAL C C 62 172.400 174.094 -1.694 1
1 680 . 7 1 1 A 62 62 VAL CA C 62 62.500 60.259 2.241 1
1 681 . 7 1 1 A 62 62 VAL CB C 62 31.300 33.906 -2.606 1
1 684 . 7 1 1 A 62 62 VAL N N 62 120.400 124.918 -4.518 1
1 685 . 7 1 1 A 63 63 GLU H H 63 7.360 8.763 -1.403 1
1 686 . 7 1 1 A 63 63 GLU HA H 63 4.590 4.990 -0.400 1
1 691 . 7 1 1 A 63 63 GLU C C 63 174.500 175.451 -0.951 1
1 692 . 7 1 1 A 63 63 GLU CA C 63 54.000 54.959 -0.959 1
1 693 . 7 1 1 A 63 63 GLU CB C 63 32.700 32.292 0.408 1
1 695 . 7 1 1 A 63 63 GLU N N 63 126.500 127.329 -0.829 1
1 696 . 7 1 1 A 64 64 TYR H H 64 8.300 8.368 -0.068 1
1 697 . 7 1 1 A 64 64 TYR HA H 64 5.400 5.059 0.341 1
1 704 . 7 1 1 A 64 64 TYR C C 64 173.400 172.089 1.311 1
1 705 . 7 1 1 A 64 64 TYR CA C 64 54.800 55.596 -0.796 1
1 706 . 7 1 1 A 64 64 TYR CB C 64 41.800 41.529 0.271 1
1 711 . 7 1 1 A 64 64 TYR N N 64 118.800 119.302 -0.502 1
1 712 . 7 1 1 A 65 65 GLU H H 65 8.470 8.071 0.399 1
1 713 . 7 1 1 A 65 65 GLU HA H 65 4.440 4.779 -0.339 1
1 718 . 7 1 1 A 65 65 GLU C C 65 173.800 173.847 -0.047 1
1 719 . 7 1 1 A 65 65 GLU CA C 65 54.600 55.126 -0.526 1
1 720 . 7 1 1 A 65 65 GLU CB C 65 35.000 33.776 1.224 1
1 722 . 7 1 1 A 65 65 GLU N N 65 121.300 120.071 1.229 1
1 723 . 7 1 1 A 66 66 VAL H H 66 8.780 8.992 -0.212 1
1 724 . 7 1 1 A 66 66 VAL HA H 66 4.600 4.920 -0.320 1
1 732 . 7 1 1 A 66 66 VAL C C 66 175.900 174.814 1.086 1
1 733 . 7 1 1 A 66 66 VAL CA C 66 60.800 59.734 1.066 1
1 734 . 7 1 1 A 66 66 VAL CB C 66 33.800 34.310 -0.510 1
1 737 . 7 1 1 A 66 66 VAL N N 66 126.000 123.647 2.353 1
1 738 . 7 1 1 A 67 67 ALA H H 67 8.400 8.478 -0.078 1
1 739 . 7 1 1 A 67 67 ALA HA H 67 4.390 4.575 -0.185 1
1 743 . 7 1 1 A 67 67 ALA CA C 67 51.100 50.920 0.180 1
1 744 . 7 1 1 A 67 67 ALA CB C 67 16.800 18.173 -1.373 1
1 745 . 7 1 1 A 67 67 ALA N N 67 132.400 131.588 0.812 1
1 746 . 7 1 1 A 68 68 PRO HA H 68 4.260 4.581 -0.321 1
1 753 . 7 1 1 A 68 68 PRO C C 68 176.400 176.043 0.357 1
1 754 . 7 1 1 A 68 68 PRO CA C 68 63.800 63.032 0.768 1
1 755 . 7 1 1 A 68 68 PRO CB C 68 31.800 32.527 -0.727 1
1 758 . 7 1 1 A 69 69 VAL H H 69 8.240 8.410 -0.170 1
1 759 . 7 1 1 A 69 69 VAL HA H 69 4.360 4.638 -0.278 1
1 767 . 7 1 1 A 69 69 VAL C C 69 175.500 175.157 0.343 1
1 768 . 7 1 1 A 69 69 VAL CA C 69 60.500 60.572 -0.072 1
1 769 . 7 1 1 A 69 69 VAL CB C 69 34.200 35.599 -1.399 1
1 772 . 7 1 1 A 69 69 VAL N N 69 121.600 122.398 -0.798 1
1 773 . 7 1 1 A 70 70 ALA H H 70 8.630 8.731 -0.101 1
1 774 . 7 1 1 A 70 70 ALA HA H 70 4.370 4.478 -0.108 1
1 778 . 7 1 1 A 70 70 ALA C C 70 178.100 177.956 0.144 1
1 779 . 7 1 1 A 70 70 ALA CA C 70 51.700 51.764 -0.064 1
1 780 . 7 1 1 A 70 70 ALA CB C 70 19.700 20.114 -0.414 1
1 781 . 7 1 1 A 70 70 ALA N N 70 128.800 129.145 -0.345 1
1 782 . 7 1 1 A 71 71 ASP H H 71 8.640 8.985 -0.345 1
1 783 . 7 1 1 A 71 71 ASP HA H 71 4.330 4.297 0.033 1
1 786 . 7 1 1 A 71 71 ASP C C 71 177.000 177.481 -0.481 1
1 787 . 7 1 1 A 71 71 ASP CA C 71 57.300 57.641 -0.341 1
1 788 . 7 1 1 A 71 71 ASP CB C 71 40.300 40.640 -0.340 1
1 789 . 7 1 1 A 71 71 ASP N N 71 118.900 121.276 -2.376 1
1 790 . 7 1 1 A 72 72 ASN H H 72 8.100 7.846 0.254 1
1 791 . 7 1 1 A 72 72 ASN HA H 72 4.810 5.067 -0.257 1
1 796 . 7 1 1 A 72 72 ASN C C 72 175.300 175.536 -0.236 1
1 797 . 7 1 1 A 72 72 ASN CA C 72 51.900 52.946 -1.046 1
1 798 . 7 1 1 A 72 72 ASN CB C 72 37.400 39.164 -1.764 1
1 800 . 7 1 1 A 72 72 ASN N N 72 114.800 115.734 -0.934 1
1 802 . 7 1 1 A 73 73 ALA H H 73 7.580 7.300 0.280 1
1 803 . 7 1 1 A 73 73 ALA HA H 73 4.230 4.158 0.072 1
1 807 . 7 1 1 A 73 73 ALA C C 73 176.300 177.936 -1.636 1
1 808 . 7 1 1 A 73 73 ALA CA C 73 53.200 53.814 -0.614 1
1 809 . 7 1 1 A 73 73 ALA CB C 73 21.000 19.531 1.469 1
1 810 . 7 1 1 A 73 73 ALA N N 73 123.400 122.676 0.724 1
1 811 . 7 1 1 A 74 74 THR H H 74 8.220 8.063 0.157 1
1 812 . 7 1 1 A 74 74 THR HA H 74 4.560 4.256 0.304 1
1 817 . 7 1 1 A 74 74 THR C C 74 174.100 173.170 0.930 1
1 818 . 7 1 1 A 74 74 THR CA C 74 60.200 63.588 -3.388 1
1 819 . 7 1 1 A 74 74 THR CB C 74 69.900 66.804 3.096 1
1 821 . 7 1 1 A 74 74 THR N N 74 104.600 111.485 -6.885 1
1 822 . 7 1 1 A 75 75 GLU H H 75 7.310 7.732 -0.422 1
1 823 . 7 1 1 A 75 75 GLU HA H 75 5.190 4.778 0.412 1
1 828 . 7 1 1 A 75 75 GLU C C 75 173.600 174.347 -0.747 1
1 829 . 7 1 1 A 75 75 GLU CA C 75 54.100 55.215 -1.115 1
1 830 . 7 1 1 A 75 75 GLU CB C 75 34.100 33.671 0.429 1
1 832 . 7 1 1 A 75 75 GLU N N 75 119.100 121.375 -2.275 1
1 833 . 7 1 1 A 76 76 LEU H H 76 8.400 8.386 0.014 1
1 834 . 7 1 1 A 76 76 LEU HA H 76 4.650 4.986 -0.336 1
1 844 . 7 1 1 A 76 76 LEU C C 76 174.100 173.750 0.350 1
1 845 . 7 1 1 A 76 76 LEU CA C 76 54.200 54.120 0.080 1
1 846 . 7 1 1 A 76 76 LEU CB C 76 47.400 46.145 1.255 1
1 850 . 7 1 1 A 76 76 LEU N N 76 122.600 124.291 -1.691 1
1 851 . 7 1 1 A 77 77 HIS H H 77 9.340 8.867 0.473 1
1 852 . 7 1 1 A 77 77 HIS HA H 77 5.440 5.430 0.010 1
1 855 . 7 1 1 A 77 77 HIS C C 77 172.700 173.788 -1.088 1
1 856 . 7 1 1 A 77 77 HIS CA C 77 54.400 53.808 0.592 1
1 857 . 7 1 1 A 77 77 HIS CB C 77 31.700 32.620 -0.920 1
1 858 . 7 1 1 A 77 77 HIS N N 77 123.500 125.698 -2.198 1
1 859 . 7 1 1 A 78 78 ALA H H 78 9.190 8.257 0.933 1
1 860 . 7 1 1 A 78 78 ALA HA H 78 5.620 4.940 0.680 1
1 864 . 7 1 1 A 78 78 ALA C C 78 175.600 175.697 -0.097 1
1 865 . 7 1 1 A 78 78 ALA CA C 78 50.300 51.172 -0.872 1
1 866 . 7 1 1 A 78 78 ALA CB C 78 24.100 23.949 0.151 1
1 867 . 7 1 1 A 78 78 ALA N N 78 124.800 129.091 -4.291 1
1 868 . 7 1 1 A 79 79 ARG H H 79 8.680 8.471 0.209 1
1 869 . 7 1 1 A 79 79 ARG HA H 79 5.230 5.183 0.047 1
1 874 . 7 1 1 A 79 79 ARG C C 79 173.900 174.633 -0.733 1
1 875 . 7 1 1 A 79 79 ARG CA C 79 55.300 54.158 1.142 1
1 876 . 7 1 1 A 79 79 ARG CB C 79 34.400 34.243 0.157 1
1 879 . 7 1 1 A 79 79 ARG N N 79 119.100 117.442 1.658 1
1 880 . 7 1 1 A 80 80 PHE H H 80 8.970 8.670 0.300 1
1 881 . 7 1 1 A 80 80 PHE HA H 80 4.720 4.949 -0.229 1
1 889 . 7 1 1 A 80 80 PHE C C 80 172.700 174.015 -1.315 1
1 890 . 7 1 1 A 80 80 PHE CA C 80 56.300 56.116 0.184 1
1 891 . 7 1 1 A 80 80 PHE CB C 80 42.600 43.475 -0.875 1
1 897 . 7 1 1 A 80 80 PHE N N 80 119.200 118.149 1.051 1
1 898 . 7 1 1 A 81 81 LYS H H 81 9.350 8.489 0.861 1
1 899 . 7 1 1 A 81 81 LYS HA H 81 4.800 4.834 -0.034 1
1 908 . 7 1 1 A 81 81 LYS C C 81 174.500 174.667 -0.167 1
1 909 . 7 1 1 A 81 81 LYS CA C 81 55.600 54.734 0.866 1
1 910 . 7 1 1 A 81 81 LYS CB C 81 35.200 35.047 0.153 1
1 914 . 7 1 1 A 81 81 LYS N N 81 124.500 122.877 1.623 1
1 915 . 7 1 1 A 82 82 PHE H H 82 8.840 8.627 0.213 1
1 916 . 7 1 1 A 82 82 PHE HA H 82 4.550 4.625 -0.075 1
1 924 . 7 1 1 A 82 82 PHE C C 82 173.200 175.737 -2.537 1
1 925 . 7 1 1 A 82 82 PHE CA C 82 57.800 56.026 1.774 1
1 926 . 7 1 1 A 82 82 PHE CB C 82 40.100 42.538 -2.438 1
1 932 . 7 1 1 A 82 82 PHE N N 82 127.900 124.866 3.034 1
1 933 . 7 1 1 A 83 83 GLU H H 83 7.590 8.436 -0.846 1
1 934 . 7 1 1 A 83 83 GLU HA H 83 4.120 4.086 0.034 1
1 939 . 7 1 1 A 83 83 GLU C C 83 177.500 176.311 1.189 1
1 940 . 7 1 1 A 83 83 GLU CA C 83 58.900 58.614 0.286 1
1 941 . 7 1 1 A 83 83 GLU CB C 83 29.900 30.235 -0.335 1
1 943 . 7 1 1 A 83 83 GLU N N 83 119.400 122.936 -3.536 1
1 944 . 7 1 1 A 84 84 VAL H H 84 7.470 7.610 -0.140 1
1 945 . 7 1 1 A 84 84 VAL HA H 84 4.770 4.540 0.230 1
1 953 . 7 1 1 A 84 84 VAL C C 84 177.100 175.876 1.224 1
1 954 . 7 1 1 A 84 84 VAL CA C 84 58.500 58.812 -0.312 1
1 955 . 7 1 1 A 84 84 VAL CB C 84 36.000 35.280 0.720 1
1 958 . 7 1 1 A 84 84 VAL N N 84 108.000 114.089 -6.089 1
1 959 . 7 1 1 A 85 85 SER H H 85 8.980 8.998 -0.018 1
1 960 . 7 1 1 A 85 85 SER HA H 85 4.160 4.134 0.026 1
1 963 . 7 1 1 A 85 85 SER C C 85 176.900 176.475 0.425 1
1 964 . 7 1 1 A 85 85 SER CA C 85 61.200 61.505 -0.305 1
1 965 . 7 1 1 A 85 85 SER CB C 85 62.600 62.702 -0.102 1
1 966 . 7 1 1 A 85 85 SER N N 85 120.300 119.483 0.817 1
1 967 . 7 1 1 A 86 86 ALA H H 86 8.370 8.218 0.152 1
1 968 . 7 1 1 A 86 86 ALA HA H 86 4.000 3.993 0.007 1
1 972 . 7 1 1 A 86 86 ALA C C 86 180.500 180.009 0.491 1
1 973 . 7 1 1 A 86 86 ALA CA C 86 55.600 55.364 0.236 1
1 974 . 7 1 1 A 86 86 ALA CB C 86 18.500 18.617 -0.117 1
1 975 . 7 1 1 A 86 86 ALA N N 86 121.800 122.458 -0.658 1
1 976 . 7 1 1 A 87 87 GLU H H 87 6.920 7.933 -1.013 1
1 977 . 7 1 1 A 87 87 GLU HA H 87 3.640 3.847 -0.207 1
1 982 . 7 1 1 A 87 87 GLU C C 87 176.700 178.714 -2.014 1
1 983 . 7 1 1 A 87 87 GLU CA C 87 58.000 59.057 -1.057 1
1 984 . 7 1 1 A 87 87 GLU CB C 87 29.300 29.068 0.232 1
1 986 . 7 1 1 A 87 87 GLU N N 87 114.800 117.669 -2.869 1
1 987 . 7 1 1 A 88 88 LYS H H 88 6.520 8.049 -1.529 1
1 988 . 7 1 1 A 88 88 LYS HA H 88 3.140 3.620 -0.480 1
1 997 . 7 1 1 A 88 88 LYS C C 88 178.100 178.919 -0.819 1
1 998 . 7 1 1 A 88 88 LYS CA C 88 59.700 58.965 0.735 1
1 999 . 7 1 1 A 88 88 LYS CB C 88 32.300 32.096 0.204 1
1 1003 . 7 1 1 A 88 88 LYS N N 88 119.900 121.300 -1.400 1
1 1004 . 7 1 1 A 89 89 LEU H H 89 7.920 7.764 0.156 1
1 1005 . 7 1 1 A 89 89 LEU HA H 89 4.080 3.992 0.088 1
1 1015 . 7 1 1 A 89 89 LEU C C 89 179.900 179.075 0.825 1
1 1016 . 7 1 1 A 89 89 LEU CA C 89 58.000 58.184 -0.184 1
1 1017 . 7 1 1 A 89 89 LEU CB C 89 41.500 41.686 -0.186 1
1 1021 . 7 1 1 A 89 89 LEU N N 89 118.200 118.895 -0.695 1
1 1022 . 7 1 1 A 90 90 ILE H H 90 7.570 7.593 -0.023 1
1 1023 . 7 1 1 A 90 90 ILE HA H 90 3.710 3.529 0.181 1
1 1033 . 7 1 1 A 90 90 ILE C C 90 178.000 178.151 -0.151 1
1 1034 . 7 1 1 A 90 90 ILE CA C 90 64.700 65.106 -0.406 1
1 1035 . 7 1 1 A 90 90 ILE CB C 90 37.600 37.667 -0.067 1
1 1039 . 7 1 1 A 90 90 ILE N N 90 120.400 119.695 0.705 1
1 1040 . 7 1 1 A 91 91 PHE H H 91 8.180 8.470 -0.290 1
1 1041 . 7 1 1 A 91 91 PHE HA H 91 3.920 3.859 0.061 1
1 1049 . 7 1 1 A 91 91 PHE C C 91 177.200 177.706 -0.506 1
1 1050 . 7 1 1 A 91 91 PHE CA C 91 61.600 61.331 0.269 1
1 1051 . 7 1 1 A 91 91 PHE CB C 91 39.600 39.291 0.309 1
1 1057 . 7 1 1 A 91 91 PHE N N 91 120.100 119.937 0.163 1
1 1058 . 7 1 1 A 92 92 GLU H H 92 8.470 8.200 0.270 1
1 1059 . 7 1 1 A 92 92 GLU HA H 92 3.620 4.269 -0.649 1
1 1064 . 7 1 1 A 92 92 GLU C C 92 179.100 179.007 0.093 1
1 1065 . 7 1 1 A 92 92 GLU CA C 92 60.100 59.051 1.049 1
1 1066 . 7 1 1 A 92 92 GLU CB C 92 29.300 29.178 0.122 1
1 1068 . 7 1 1 A 92 92 GLU N N 92 118.800 117.625 1.175 1
1 1069 . 7 1 1 A 93 93 LEU H H 93 7.980 7.955 0.025 1
1 1070 . 7 1 1 A 93 93 LEU HA H 93 4.000 3.999 0.001 1
1 1080 . 7 1 1 A 93 93 LEU C C 93 180.600 178.413 2.187 1
1 1081 . 7 1 1 A 93 93 LEU CA C 93 58.300 57.913 0.387 1
1 1082 . 7 1 1 A 93 93 LEU CB C 93 41.700 41.773 -0.073 1
1 1086 . 7 1 1 A 93 93 LEU N N 93 120.800 121.155 -0.355 1
1 1087 . 7 1 1 A 94 94 LYS H H 94 8.340 7.596 0.744 1
1 1088 . 7 1 1 A 94 94 LYS HA H 94 3.990 3.798 0.192 1
1 1097 . 7 1 1 A 94 94 LYS C C 94 179.600 179.167 0.433 1
1 1098 . 7 1 1 A 94 94 LYS CA C 94 59.200 59.215 -0.015 1
1 1099 . 7 1 1 A 94 94 LYS CB C 94 33.100 32.001 1.099 1
1 1103 . 7 1 1 A 94 94 LYS N N 94 119.300 118.652 0.648 1
1 1104 . 7 1 1 A 95 95 THR H H 95 8.100 7.594 0.506 1
1 1105 . 7 1 1 A 95 95 THR HA H 95 3.640 3.485 0.155 1
1 1110 . 7 1 1 A 95 95 THR C C 95 176.800 176.876 -0.076 1
1 1111 . 7 1 1 A 95 95 THR CA C 95 63.800 65.390 -1.590 1
1 1112 . 7 1 1 A 95 95 THR CB C 95 68.900 67.694 1.206 1
1 1114 . 7 1 1 A 95 95 THR N N 95 109.700 112.283 -2.583 1
1 1115 . 7 1 1 A 96 96 ARG H H 96 7.570 8.238 -0.668 1
1 1116 . 7 1 1 A 96 96 ARG HA H 96 4.060 4.036 0.024 1
1 1124 . 7 1 1 A 96 96 ARG C C 96 178.300 178.721 -0.421 1
1 1125 . 7 1 1 A 96 96 ARG CA C 96 59.500 60.042 -0.542 1
1 1126 . 7 1 1 A 96 96 ARG CB C 96 29.800 29.777 0.023 1
1 1130 . 7 1 1 A 96 96 ARG N N 96 123.200 121.811 1.389 1
1 1132 . 7 1 1 A 97 97 ALA H H 97 7.520 7.785 -0.265 1
1 1133 . 7 1 1 A 97 97 ALA HA H 97 4.130 4.075 0.055 1
1 1137 . 7 1 1 A 97 97 ALA C C 97 179.500 180.305 -0.805 1
1 1138 . 7 1 1 A 97 97 ALA CA C 97 54.100 55.056 -0.956 1
1 1139 . 7 1 1 A 97 97 ALA CB C 97 18.200 18.315 -0.115 1
1 1140 . 7 1 1 A 97 97 ALA N N 97 119.700 121.840 -2.140 1
1 1141 . 7 1 1 A 98 98 LEU H H 98 7.370 7.821 -0.451 1
1 1142 . 7 1 1 A 98 98 LEU HA H 98 4.070 3.958 0.112 1
1 1152 . 7 1 1 A 98 98 LEU C C 98 178.800 178.903 -0.103 1
1 1153 . 7 1 1 A 98 98 LEU CA C 98 56.500 57.657 -1.157 1
1 1154 . 7 1 1 A 98 98 LEU CB C 98 41.700 41.545 0.155 1
1 1158 . 7 1 1 A 98 98 LEU N N 98 118.300 118.480 -0.180 1
1 1159 . 7 1 1 A 99 99 ALA H H 99 7.940 8.503 -0.563 1
1 1160 . 7 1 1 A 99 99 ALA HA H 99 4.250 4.098 0.152 1
1 1164 . 7 1 1 A 99 99 ALA C C 99 179.100 179.101 -0.001 1
1 1165 . 7 1 1 A 99 99 ALA CA C 99 53.600 55.123 -1.523 1
1 1166 . 7 1 1 A 99 99 ALA CB C 99 18.600 18.337 0.263 1
1 1167 . 7 1 1 A 99 99 ALA N N 99 122.100 122.188 -0.088 1
1 1168 . 7 1 1 A 100 100 ARG H H 100 7.840 7.961 -0.121 1
1 1169 . 7 1 1 A 100 100 ARG HA H 100 4.210 4.378 -0.168 1
1 1176 . 7 1 1 A 100 100 ARG C C 100 177.100 175.831 1.269 1
1 1177 . 7 1 1 A 100 100 ARG CA C 100 57.100 55.783 1.317 1
1 1178 . 7 1 1 A 100 100 ARG CB C 100 30.300 30.465 -0.165 1
1 1181 . 7 1 1 A 100 100 ARG N N 100 117.900 114.751 3.149 1
1 1182 . 7 1 1 A 101 101 LEU H H 101 7.890 7.809 0.081 1
1 1183 . 7 1 1 A 101 101 LEU HA H 101 4.240 4.135 0.105 1
1 1193 . 7 1 1 A 101 101 LEU C C 101 177.800 175.419 2.381 1
1 1194 . 7 1 1 A 101 101 LEU CA C 101 55.700 55.853 -0.153 1
1 1195 . 7 1 1 A 101 101 LEU CB C 101 41.900 41.059 0.841 1
1 1199 . 7 1 1 A 101 101 LEU N N 101 120.800 118.908 1.892 1
1 1200 . 7 1 1 A 102 102 GLU H H 102 8.040 8.795 -0.755 1
1 1201 . 7 1 1 A 102 102 GLU HA H 102 4.240 4.354 -0.114 1
1 1206 . 7 1 1 A 102 102 GLU C C 102 176.500 175.534 0.966 1
1 1207 . 7 1 1 A 102 102 GLU CA C 102 56.600 56.745 -0.145 1
1 1208 . 7 1 1 A 102 102 GLU CB C 102 30.000 30.635 -0.635 1
1 1210 . 7 1 1 A 102 102 GLU N N 102 120.100 124.423 -4.323 1
1 1211 . 7 1 1 A 103 103 HIS H H 103 8.200 8.539 -0.339 1
1 1212 . 7 1 1 A 103 103 HIS HA H 103 4.540 5.204 -0.664 1
1 1216 . 7 1 1 A 103 103 HIS CA C 103 56.100 55.429 0.671 1
1 1217 . 7 1 1 A 103 103 HIS CB C 103 29.900 33.498 -3.598 1
1 1218 . 7 1 1 A 103 103 HIS N N 103 119.200 126.161 -6.961 1
1 1219 . 7 1 1 A 107 107 HIS HA H 107 4.560 4.094 0.466 1
1 1222 . 7 1 1 A 107 107 HIS C C 107 173.800 175.682 -1.882 1
1 1223 . 7 1 1 A 107 107 HIS CA C 107 55.800 57.114 -1.314 1
1 1224 . 7 1 1 A 107 107 HIS CB C 107 29.900 29.761 0.139 1
1 1 . 8 1 1 A 4 4 GLN HA H 4 4.360 4.337 0.023 1
1 7 . 8 1 1 A 4 4 GLN C C 4 176.100 175.951 0.149 1
1 8 . 8 1 1 A 4 4 GLN CA C 4 56.000 55.892 0.108 1
1 9 . 8 1 1 A 4 4 GLN CB C 4 29.300 29.535 -0.235 1
1 11 . 8 1 1 A 5 5 THR H H 5 8.280 8.596 -0.316 1
1 12 . 8 1 1 A 5 5 THR HA H 5 4.320 4.923 -0.603 1
1 17 . 8 1 1 A 5 5 THR C C 5 174.300 175.273 -0.973 1
1 18 . 8 1 1 A 5 5 THR CA C 5 62.200 60.378 1.822 1
1 19 . 8 1 1 A 5 5 THR CB C 5 69.600 70.573 -0.973 1
1 21 . 8 1 1 A 5 5 THR N N 5 115.700 115.662 0.038 1
1 22 . 8 1 1 A 6 6 CYS H H 6 8.410 8.732 -0.322 1
1 23 . 8 1 1 A 6 6 CYS HA H 6 4.540 4.322 0.218 1
1 26 . 8 1 1 A 6 6 CYS C C 6 174.400 175.079 -0.679 1
1 27 . 8 1 1 A 6 6 CYS CA C 6 58.200 62.513 -4.313 1
1 28 . 8 1 1 A 6 6 CYS CB C 6 27.800 28.186 -0.386 1
1 29 . 8 1 1 A 6 6 CYS N N 6 121.900 120.253 1.647 1
1 30 . 8 1 1 A 7 7 VAL H H 7 8.290 7.651 0.639 1
1 31 . 8 1 1 A 7 7 VAL HA H 7 4.090 4.148 -0.058 1
1 39 . 8 1 1 A 7 7 VAL C C 7 176.100 175.110 0.990 1
1 40 . 8 1 1 A 7 7 VAL CA C 7 62.400 61.446 0.954 1
1 41 . 8 1 1 A 7 7 VAL CB C 7 32.500 33.047 -0.547 1
1 44 . 8 1 1 A 7 7 VAL N N 7 122.700 117.229 5.471 1
1 45 . 8 1 1 A 8 8 GLU H H 8 8.510 8.932 -0.422 1
1 46 . 8 1 1 A 8 8 GLU HA H 8 4.240 4.454 -0.214 1
1 51 . 8 1 1 A 8 8 GLU C C 8 176.100 176.330 -0.230 1
1 52 . 8 1 1 A 8 8 GLU CA C 8 56.900 57.888 -0.988 1
1 53 . 8 1 1 A 8 8 GLU CB C 8 30.100 30.875 -0.775 1
1 55 . 8 1 1 A 8 8 GLU N N 8 124.300 124.513 -0.213 1
1 56 . 8 1 1 A 9 9 ASN H H 9 8.390 8.260 0.130 1
1 57 . 8 1 1 A 9 9 ASN HA H 9 4.650 4.362 0.288 1
1 62 . 8 1 1 A 9 9 ASN C C 9 174.900 175.593 -0.693 1
1 63 . 8 1 1 A 9 9 ASN CA C 9 53.400 54.134 -0.734 1
1 64 . 8 1 1 A 9 9 ASN CB C 9 39.000 37.704 1.296 1
1 66 . 8 1 1 A 9 9 ASN N N 9 119.300 118.550 0.750 1
1 68 . 8 1 1 A 10 10 GLU H H 10 8.330 8.055 0.275 1
1 69 . 8 1 1 A 10 10 GLU HA H 10 4.250 4.314 -0.064 1
1 74 . 8 1 1 A 10 10 GLU C C 10 176.400 177.744 -1.344 1
1 75 . 8 1 1 A 10 10 GLU CA C 10 56.800 58.168 -1.368 1
1 76 . 8 1 1 A 10 10 GLU CB C 10 30.200 30.156 0.044 1
1 78 . 8 1 1 A 10 10 GLU N N 10 121.400 119.316 2.084 1
1 79 . 8 1 1 A 11 11 VAL H H 11 8.250 7.379 0.871 1
1 80 . 8 1 1 A 11 11 VAL HA H 11 4.090 4.282 -0.192 1
1 88 . 8 1 1 A 11 11 VAL C C 11 176.100 176.194 -0.094 1
1 89 . 8 1 1 A 11 11 VAL CA C 11 62.400 61.975 0.425 1
1 90 . 8 1 1 A 11 11 VAL CB C 11 32.500 32.141 0.359 1
1 93 . 8 1 1 A 11 11 VAL N N 11 121.900 111.320 10.580 1
1 94 . 8 1 1 A 12 12 CYS H H 12 8.450 7.669 0.781 1
1 95 . 8 1 1 A 12 12 CYS HA H 12 4.500 4.330 0.170 1
1 98 . 8 1 1 A 12 12 CYS C C 12 174.400 174.792 -0.392 1
1 99 . 8 1 1 A 12 12 CYS CA C 12 58.300 59.370 -1.070 1
1 100 . 8 1 1 A 12 12 CYS CB C 12 28.000 28.065 -0.065 1
1 101 . 8 1 1 A 12 12 CYS N N 12 123.800 123.247 0.553 1
1 102 . 8 1 1 A 13 13 GLU H H 13 8.560 8.578 -0.018 1
1 103 . 8 1 1 A 13 13 GLU HA H 13 4.260 4.615 -0.355 1
1 108 . 8 1 1 A 13 13 GLU C C 13 176.100 176.889 -0.789 1
1 109 . 8 1 1 A 13 13 GLU CA C 13 56.700 56.585 0.115 1
1 110 . 8 1 1 A 13 13 GLU CB C 13 30.200 32.149 -1.949 1
1 112 . 8 1 1 A 13 13 GLU N N 13 124.100 119.941 4.159 1
1 113 . 8 1 1 A 14 14 ALA H H 14 8.400 8.326 0.074 1
1 114 . 8 1 1 A 14 14 ALA HA H 14 4.350 4.292 0.058 1
1 118 . 8 1 1 A 14 14 ALA C C 14 177.700 176.378 1.322 1
1 119 . 8 1 1 A 14 14 ALA CA C 14 52.600 52.797 -0.197 1
1 120 . 8 1 1 A 14 14 ALA CB C 14 19.100 19.383 -0.283 1
1 121 . 8 1 1 A 14 14 ALA N N 14 125.400 121.309 4.091 1
1 122 . 8 1 1 A 15 15 CYS H H 15 8.370 7.751 0.619 1
1 123 . 8 1 1 A 15 15 CYS HA H 15 4.490 4.857 -0.367 1
1 126 . 8 1 1 A 15 15 CYS C C 15 175.100 174.587 0.513 1
1 127 . 8 1 1 A 15 15 CYS CA C 15 58.400 57.858 0.542 1
1 128 . 8 1 1 A 15 15 CYS CB C 15 28.000 30.008 -2.008 1
1 129 . 8 1 1 A 15 15 CYS N N 15 118.500 116.320 2.180 1
1 130 . 8 1 1 A 16 16 GLY H H 16 8.480 8.627 -0.147 1
1 131 . 8 1 1 A 16 16 GLY HA2 H 16 3.970 3.827 0.143 1
1 132 . 8 1 1 A 16 16 GLY HA3 H 16 3.970 3.827 0.143 1
1 133 . 8 1 1 A 16 16 GLY C C 16 174.100 175.701 -1.601 1
1 134 . 8 1 1 A 16 16 GLY CA C 16 45.400 46.729 -1.329 1
1 135 . 8 1 1 A 16 16 GLY N N 16 111.300 112.827 -1.527 1
1 136 . 8 1 1 A 17 17 CYS H H 17 8.300 7.935 0.365 1
1 137 . 8 1 1 A 17 17 CYS HA H 17 4.500 4.106 0.394 1
1 140 . 8 1 1 A 17 17 CYS C C 17 174.500 174.449 0.051 1
1 141 . 8 1 1 A 17 17 CYS CA C 17 58.300 62.049 -3.749 1
1 142 . 8 1 1 A 17 17 CYS CB C 17 28.100 27.551 0.549 1
1 143 . 8 1 1 A 17 17 CYS N N 17 118.900 120.671 -1.771 1
1 144 . 8 1 1 A 18 18 ALA H H 18 8.520 7.902 0.618 1
1 145 . 8 1 1 A 18 18 ALA HA H 18 4.260 4.042 0.218 1
1 149 . 8 1 1 A 18 18 ALA C C 18 178.000 177.745 0.255 1
1 150 . 8 1 1 A 18 18 ALA CA C 18 52.900 53.299 -0.399 1
1 151 . 8 1 1 A 18 18 ALA CB C 18 19.000 17.080 1.920 1
1 152 . 8 1 1 A 18 18 ALA N N 18 126.800 121.598 5.202 1
1 153 . 8 1 1 A 19 19 GLY H H 19 8.310 8.005 0.305 1
1 154 . 8 1 1 A 19 19 GLY HA2 H 19 3.890 3.922 -0.032 1
1 155 . 8 1 1 A 19 19 GLY HA3 H 19 3.890 3.923 -0.033 1
1 156 . 8 1 1 A 19 19 GLY C C 19 174.000 174.039 -0.039 1
1 157 . 8 1 1 A 19 19 GLY CA C 19 45.000 45.609 -0.609 1
1 158 . 8 1 1 A 19 19 GLY N N 19 108.100 104.967 3.133 1
1 159 . 8 1 1 A 20 20 GLU H H 20 8.180 7.892 0.288 1
1 160 . 8 1 1 A 20 20 GLU HA H 20 4.270 4.302 -0.032 1
1 165 . 8 1 1 A 20 20 GLU C C 20 176.400 177.018 -0.618 1
1 166 . 8 1 1 A 20 20 GLU CA C 20 56.200 56.648 -0.448 1
1 167 . 8 1 1 A 20 20 GLU CB C 20 30.100 31.127 -1.027 1
1 169 . 8 1 1 A 20 20 GLU N N 20 120.500 121.634 -1.134 1
1 170 . 8 1 1 A 21 21 ILE H H 21 8.160 8.678 -0.518 1
1 171 . 8 1 1 A 21 21 ILE HA H 21 4.020 3.697 0.323 1
1 181 . 8 1 1 A 21 21 ILE C C 21 176.400 176.659 -0.259 1
1 182 . 8 1 1 A 21 21 ILE CA C 21 61.200 64.974 -3.774 1
1 183 . 8 1 1 A 21 21 ILE CB C 21 38.200 37.797 0.403 1
1 187 . 8 1 1 A 21 21 ILE N N 21 122.000 126.090 -4.090 1
1 188 . 8 1 1 A 22 22 GLY H H 22 8.260 7.998 0.262 1
1 189 . 8 1 1 A 22 22 GLY HA2 H 22 3.740 3.906 -0.166 1
1 190 . 8 1 1 A 22 22 GLY HA3 H 22 3.880 3.932 -0.052 1
1 191 . 8 1 1 A 22 22 GLY C C 22 173.200 175.019 -1.819 1
1 192 . 8 1 1 A 22 22 GLY CA C 22 45.100 47.050 -1.950 1
1 193 . 8 1 1 A 22 22 GLY N N 22 112.500 109.120 3.380 1
1 194 . 8 1 1 A 23 23 PHE H H 23 7.890 8.314 -0.424 1
1 195 . 8 1 1 A 23 23 PHE HA H 23 4.550 4.281 0.269 1
1 202 . 8 1 1 A 23 23 PHE CA C 23 58.100 60.650 -2.550 1
1 203 . 8 1 1 A 23 23 PHE CB C 23 41.200 40.074 1.126 1
1 206 . 8 1 1 A 23 23 PHE N N 23 119.700 121.443 -1.743 1
1 207 . 8 1 1 A 24 24 ILE HA H 24 3.970 4.190 -0.220 1
1 217 . 8 1 1 A 24 24 ILE CA C 24 62.400 60.113 2.287 1
1 218 . 8 1 1 A 24 24 ILE CB C 24 37.700 40.678 -2.978 1
1 222 . 8 1 1 A 25 25 ILE H H 25 8.950 8.453 0.497 1
1 223 . 8 1 1 A 25 25 ILE HA H 25 3.740 3.705 0.035 1
1 233 . 8 1 1 A 25 25 ILE C C 25 175.200 175.264 -0.064 1
1 234 . 8 1 1 A 25 25 ILE CA C 25 62.700 61.609 1.091 1
1 235 . 8 1 1 A 25 25 ILE CB C 25 38.200 36.833 1.367 1
1 239 . 8 1 1 A 25 25 ILE N N 25 124.800 127.886 -3.086 1
1 240 . 8 1 1 A 26 26 ARG H H 26 8.040 8.094 -0.054 1
1 241 . 8 1 1 A 26 26 ARG HA H 26 4.140 4.333 -0.193 1
1 248 . 8 1 1 A 26 26 ARG C C 26 175.900 175.885 0.015 1
1 249 . 8 1 1 A 26 26 ARG CA C 26 55.300 56.022 -0.722 1
1 250 . 8 1 1 A 26 26 ARG CB C 26 31.100 30.693 0.407 1
1 253 . 8 1 1 A 26 26 ARG N N 26 128.100 126.812 1.288 1
1 254 . 8 1 1 A 27 27 GLU H H 27 8.560 8.783 -0.223 1
1 255 . 8 1 1 A 27 27 GLU HA H 27 4.030 4.008 0.022 1
1 260 . 8 1 1 A 27 27 GLU C C 27 176.300 176.654 -0.354 1
1 261 . 8 1 1 A 27 27 GLU CA C 27 57.000 58.364 -1.364 1
1 262 . 8 1 1 A 27 27 GLU CB C 27 30.000 29.537 0.463 1
1 264 . 8 1 1 A 27 27 GLU N N 27 123.500 121.930 1.570 1
1 265 . 8 1 1 A 28 28 GLY H H 28 8.420 8.491 -0.071 1
1 266 . 8 1 1 A 28 28 GLY HA2 H 28 4.050 4.075 -0.025 1
1 267 . 8 1 1 A 28 28 GLY HA3 H 28 4.220 4.082 0.138 1
1 268 . 8 1 1 A 28 28 GLY C C 28 174.000 174.380 -0.380 1
1 269 . 8 1 1 A 28 28 GLY CA C 28 45.400 45.169 0.231 1
1 270 . 8 1 1 A 28 28 GLY N N 28 108.300 113.502 -5.202 1
1 271 . 8 1 1 A 29 29 ASP H H 29 8.690 9.220 -0.530 1
1 272 . 8 1 1 A 29 29 ASP HA H 29 4.430 4.324 0.106 1
1 275 . 8 1 1 A 29 29 ASP C C 29 175.200 175.748 -0.548 1
1 276 . 8 1 1 A 29 29 ASP CA C 29 56.300 55.545 0.755 1
1 277 . 8 1 1 A 29 29 ASP CB C 29 40.300 39.335 0.965 1
1 278 . 8 1 1 A 29 29 ASP N N 29 119.800 119.144 0.656 1
1 279 . 8 1 1 A 30 30 ASP H H 30 8.630 8.518 0.112 1
1 280 . 8 1 1 A 30 30 ASP HA H 30 4.260 4.387 -0.127 1
1 283 . 8 1 1 A 30 30 ASP C C 30 174.300 174.809 -0.509 1
1 284 . 8 1 1 A 30 30 ASP CA C 30 52.600 54.946 -2.346 1
1 285 . 8 1 1 A 30 30 ASP CB C 30 39.200 39.319 -0.119 1
1 286 . 8 1 1 A 30 30 ASP N N 30 114.900 116.923 -2.023 1
1 287 . 8 1 1 A 31 31 VAL H H 31 7.550 7.590 -0.040 1
1 288 . 8 1 1 A 31 31 VAL HA H 31 5.300 4.521 0.779 1
1 296 . 8 1 1 A 31 31 VAL C C 31 175.800 174.723 1.077 1
1 297 . 8 1 1 A 31 31 VAL CA C 31 60.700 60.800 -0.100 1
1 298 . 8 1 1 A 31 31 VAL CB C 31 35.000 34.462 0.538 1
1 301 . 8 1 1 A 31 31 VAL N N 31 120.500 118.533 1.967 1
1 302 . 8 1 1 A 32 32 ALA H H 32 9.580 9.772 -0.192 1
1 303 . 8 1 1 A 32 32 ALA HA H 32 5.030 5.316 -0.286 1
1 307 . 8 1 1 A 32 32 ALA C C 32 175.800 176.431 -0.631 1
1 308 . 8 1 1 A 32 32 ALA CA C 32 50.000 50.528 -0.528 1
1 309 . 8 1 1 A 32 32 ALA CB C 32 22.800 21.484 1.316 1
1 310 . 8 1 1 A 32 32 ALA N N 32 130.500 130.324 0.176 1
1 311 . 8 1 1 A 33 33 GLU H H 33 9.270 8.794 0.476 1
1 312 . 8 1 1 A 33 33 GLU HA H 33 5.140 5.172 -0.032 1
1 317 . 8 1 1 A 33 33 GLU C C 33 175.900 175.789 0.111 1
1 318 . 8 1 1 A 33 33 GLU CA C 33 55.300 55.446 -0.146 1
1 319 . 8 1 1 A 33 33 GLU CB C 33 31.500 31.409 0.091 1
1 321 . 8 1 1 A 33 33 GLU N N 33 124.500 121.351 3.149 1
1 322 . 8 1 1 A 34 34 VAL H H 34 9.140 8.824 0.316 1
1 323 . 8 1 1 A 34 34 VAL HA H 34 4.580 4.918 -0.338 1
1 331 . 8 1 1 A 34 34 VAL C C 34 174.300 174.537 -0.237 1
1 332 . 8 1 1 A 34 34 VAL CA C 34 60.800 60.575 0.225 1
1 333 . 8 1 1 A 34 34 VAL CB C 34 35.700 34.256 1.444 1
1 336 . 8 1 1 A 34 34 VAL N N 34 124.700 125.460 -0.760 1
1 337 . 8 1 1 A 35 35 SER H H 35 8.450 8.571 -0.121 1
1 338 . 8 1 1 A 35 35 SER HA H 35 5.060 5.039 0.021 1
1 341 . 8 1 1 A 35 35 SER C C 35 172.100 172.861 -0.761 1
1 342 . 8 1 1 A 35 35 SER CA C 35 56.900 57.193 -0.293 1
1 343 . 8 1 1 A 35 35 SER CB C 35 64.800 66.308 -1.508 1
1 344 . 8 1 1 A 35 35 SER N N 35 122.100 122.258 -0.158 1
1 345 . 8 1 1 A 36 36 LEU H H 36 8.540 8.225 0.315 1
1 346 . 8 1 1 A 36 36 LEU HA H 36 4.570 4.893 -0.323 1
1 356 . 8 1 1 A 36 36 LEU C C 36 174.200 175.424 -1.224 1
1 357 . 8 1 1 A 36 36 LEU CA C 36 52.600 53.234 -0.634 1
1 358 . 8 1 1 A 36 36 LEU CB C 36 45.600 45.031 0.569 1
1 362 . 8 1 1 A 36 36 LEU N N 36 123.600 124.001 -0.401 1
1 363 . 8 1 1 A 37 37 PHE H H 37 8.400 8.834 -0.434 1
1 364 . 8 1 1 A 37 37 PHE HA H 37 5.300 5.059 0.241 1
1 369 . 8 1 1 A 37 37 PHE C C 37 175.600 175.410 0.190 1
1 370 . 8 1 1 A 37 37 PHE CA C 37 56.300 56.570 -0.270 1
1 371 . 8 1 1 A 37 37 PHE CB C 37 42.000 42.456 -0.456 1
1 374 . 8 1 1 A 37 37 PHE N N 37 118.300 120.813 -2.513 1
1 375 . 8 1 1 A 38 38 GLY H H 38 8.340 8.483 -0.143 1
1 376 . 8 1 1 A 38 38 GLY HA2 H 38 3.750 4.160 -0.410 1
1 377 . 8 1 1 A 38 38 GLY HA3 H 38 4.210 4.164 0.046 1
1 378 . 8 1 1 A 38 38 GLY CA C 38 45.600 44.658 0.942 1
1 379 . 8 1 1 A 38 38 GLY N N 38 109.300 110.619 -1.319 1
1 380 . 8 1 1 A 39 39 SER HA H 39 4.210 4.380 -0.170 1
1 383 . 8 1 1 A 39 39 SER C C 39 173.700 173.501 0.199 1
1 384 . 8 1 1 A 39 39 SER CA C 39 60.100 59.759 0.341 1
1 385 . 8 1 1 A 39 39 SER CB C 39 63.900 62.555 1.345 1
1 386 . 8 1 1 A 40 40 ASP H H 40 7.670 8.567 -0.897 1
1 387 . 8 1 1 A 40 40 ASP HA H 40 4.810 4.910 -0.100 1
1 390 . 8 1 1 A 40 40 ASP C C 40 175.500 176.507 -1.007 1
1 391 . 8 1 1 A 40 40 ASP CA C 40 52.900 52.663 0.237 1
1 392 . 8 1 1 A 40 40 ASP CB C 40 41.300 41.632 -0.332 1
1 393 . 8 1 1 A 40 40 ASP N N 40 115.800 122.624 -6.824 1
1 394 . 8 1 1 A 41 41 LYS H H 41 8.260 8.580 -0.320 1
1 395 . 8 1 1 A 41 41 LYS HA H 41 3.780 3.937 -0.157 1
1 404 . 8 1 1 A 41 41 LYS C C 41 177.100 178.100 -1.000 1
1 405 . 8 1 1 A 41 41 LYS CA C 41 60.500 59.594 0.906 1
1 406 . 8 1 1 A 41 41 LYS CB C 41 33.400 31.907 1.493 1
1 410 . 8 1 1 A 41 41 LYS N N 41 120.200 121.018 -0.818 1
1 411 . 8 1 1 A 42 42 ALA H H 42 8.420 7.988 0.432 1
1 412 . 8 1 1 A 42 42 ALA HA H 42 4.180 4.165 0.015 1
1 416 . 8 1 1 A 42 42 ALA C C 42 181.900 180.001 1.899 1
1 417 . 8 1 1 A 42 42 ALA CA C 42 55.400 55.145 0.255 1
1 418 . 8 1 1 A 42 42 ALA CB C 42 17.700 18.591 -0.891 1
1 419 . 8 1 1 A 42 42 ALA N N 42 120.700 121.763 -1.063 1
1 420 . 8 1 1 A 43 43 HIS H H 43 8.490 8.549 -0.059 1
1 421 . 8 1 1 A 43 43 HIS HA H 43 4.330 4.307 0.023 1
1 424 . 8 1 1 A 43 43 HIS C C 43 178.800 177.265 1.535 1
1 425 . 8 1 1 A 43 43 HIS CA C 43 59.600 59.615 -0.015 1
1 426 . 8 1 1 A 43 43 HIS CB C 43 30.300 29.862 0.438 1
1 427 . 8 1 1 A 43 43 HIS N N 43 118.000 117.997 0.003 1
1 428 . 8 1 1 A 44 44 LEU H H 44 8.340 8.503 -0.163 1
1 429 . 8 1 1 A 44 44 LEU HA H 44 3.750 3.817 -0.067 1
1 439 . 8 1 1 A 44 44 LEU C C 44 178.500 179.183 -0.683 1
1 440 . 8 1 1 A 44 44 LEU CA C 44 58.200 57.976 0.224 1
1 441 . 8 1 1 A 44 44 LEU CB C 44 42.100 41.477 0.623 1
1 445 . 8 1 1 A 44 44 LEU N N 44 121.500 119.418 2.082 1
1 446 . 8 1 1 A 45 45 GLU H H 45 8.880 8.394 0.486 1
1 447 . 8 1 1 A 45 45 GLU HA H 45 3.750 4.050 -0.300 1
1 452 . 8 1 1 A 45 45 GLU C C 45 180.200 179.902 0.298 1
1 453 . 8 1 1 A 45 45 GLU CA C 45 60.000 59.488 0.512 1
1 454 . 8 1 1 A 45 45 GLU CB C 45 29.000 28.995 0.005 1
1 456 . 8 1 1 A 45 45 GLU N N 45 118.300 118.111 0.189 1
1 457 . 8 1 1 A 46 46 GLY H H 46 7.970 8.125 -0.155 1
1 458 . 8 1 1 A 46 46 GLY HA2 H 46 3.920 3.655 0.265 1
1 459 . 8 1 1 A 46 46 GLY HA3 H 46 3.920 3.713 0.207 1
1 460 . 8 1 1 A 46 46 GLY C C 46 176.500 175.582 0.918 1
1 461 . 8 1 1 A 46 46 GLY CA C 46 46.900 47.342 -0.442 1
1 462 . 8 1 1 A 46 46 GLY N N 46 108.100 108.966 -0.866 1
1 463 . 8 1 1 A 47 47 LYS H H 47 7.690 8.130 -0.440 1
1 464 . 8 1 1 A 47 47 LYS HA H 47 4.320 4.036 0.284 1
1 473 . 8 1 1 A 47 47 LYS C C 47 179.400 178.885 0.515 1
1 474 . 8 1 1 A 47 47 LYS CA C 47 58.400 58.801 -0.401 1
1 475 . 8 1 1 A 47 47 LYS CB C 47 32.100 31.899 0.201 1
1 479 . 8 1 1 A 47 47 LYS N N 47 122.400 121.453 0.947 1
1 480 . 8 1 1 A 48 48 LEU H H 48 8.550 8.256 0.294 1
1 481 . 8 1 1 A 48 48 LEU HA H 48 3.980 4.204 -0.224 1
1 491 . 8 1 1 A 48 48 LEU C C 48 178.300 178.555 -0.255 1
1 492 . 8 1 1 A 48 48 LEU CA C 48 57.900 57.673 0.227 1
1 493 . 8 1 1 A 48 48 LEU CB C 48 40.800 41.439 -0.639 1
1 497 . 8 1 1 A 48 48 LEU N N 48 120.600 121.344 -0.744 1
1 498 . 8 1 1 A 49 49 ALA H H 49 7.810 7.930 -0.120 1
1 499 . 8 1 1 A 49 49 ALA HA H 49 4.000 3.950 0.050 1
1 503 . 8 1 1 A 49 49 ALA C C 49 180.400 179.854 0.546 1
1 504 . 8 1 1 A 49 49 ALA CA C 49 55.600 55.025 0.575 1
1 505 . 8 1 1 A 49 49 ALA CB C 49 17.900 18.447 -0.547 1
1 506 . 8 1 1 A 49 49 ALA N N 49 120.000 120.631 -0.631 1
1 507 . 8 1 1 A 50 50 GLU H H 50 7.520 8.352 -0.832 1
1 508 . 8 1 1 A 50 50 GLU HA H 50 4.130 4.047 0.083 1
1 513 . 8 1 1 A 50 50 GLU C C 50 179.600 178.702 0.898 1
1 514 . 8 1 1 A 50 50 GLU CA C 50 59.200 59.321 -0.121 1
1 515 . 8 1 1 A 50 50 GLU CB C 50 29.800 29.106 0.694 1
1 517 . 8 1 1 A 50 50 GLU N N 50 117.300 116.794 0.506 1
1 518 . 8 1 1 A 51 51 TYR H H 51 7.860 8.222 -0.362 1
1 519 . 8 1 1 A 51 51 TYR HA H 51 3.900 4.476 -0.576 1
1 526 . 8 1 1 A 51 51 TYR C C 51 177.900 178.451 -0.551 1
1 527 . 8 1 1 A 51 51 TYR CA C 51 62.400 60.943 1.457 1
1 528 . 8 1 1 A 51 51 TYR CB C 51 38.200 38.387 -0.187 1
1 533 . 8 1 1 A 51 51 TYR N N 51 120.300 118.717 1.583 1
1 534 . 8 1 1 A 52 52 ILE H H 52 8.590 8.004 0.586 1
1 535 . 8 1 1 A 52 52 ILE HA H 52 3.420 3.609 -0.189 1
1 545 . 8 1 1 A 52 52 ILE C C 52 177.400 178.095 -0.695 1
1 546 . 8 1 1 A 52 52 ILE CA C 52 66.200 64.988 1.212 1
1 547 . 8 1 1 A 52 52 ILE CB C 52 38.200 37.897 0.303 1
1 551 . 8 1 1 A 52 52 ILE N N 52 120.100 120.474 -0.374 1
1 552 . 8 1 1 A 53 53 SER H H 53 7.860 8.098 -0.238 1
1 553 . 8 1 1 A 53 53 SER HA H 53 4.080 4.114 -0.034 1
1 556 . 8 1 1 A 53 53 SER C C 53 177.700 176.269 1.431 1
1 557 . 8 1 1 A 53 53 SER CA C 53 61.800 62.237 -0.437 1
1 558 . 8 1 1 A 53 53 SER CB C 53 62.600 63.001 -0.401 1
1 559 . 8 1 1 A 53 53 SER N N 53 113.100 116.357 -3.257 1
1 560 . 8 1 1 A 54 54 LEU H H 54 7.610 8.343 -0.733 1
1 561 . 8 1 1 A 54 54 LEU HA H 54 4.090 4.066 0.024 1
1 571 . 8 1 1 A 54 54 LEU C C 54 178.600 179.097 -0.497 1
1 572 . 8 1 1 A 54 54 LEU CA C 54 58.000 57.716 0.284 1
1 573 . 8 1 1 A 54 54 LEU CB C 54 42.200 41.461 0.739 1
1 577 . 8 1 1 A 54 54 LEU N N 54 121.200 121.005 0.195 1
1 578 . 8 1 1 A 55 55 ALA H H 55 8.640 8.685 -0.045 1
1 579 . 8 1 1 A 55 55 ALA HA H 55 3.860 3.777 0.083 1
1 583 . 8 1 1 A 55 55 ALA C C 55 179.100 179.058 0.042 1
1 584 . 8 1 1 A 55 55 ALA CA C 55 56.200 55.613 0.587 1
1 585 . 8 1 1 A 55 55 ALA CB C 55 19.000 18.960 0.040 1
1 586 . 8 1 1 A 55 55 ALA N N 55 121.900 121.887 0.013 1
1 587 . 8 1 1 A 56 56 LYS H H 56 8.120 8.151 -0.031 1
1 588 . 8 1 1 A 56 56 LYS HA H 56 4.220 4.118 0.102 1
1 597 . 8 1 1 A 56 56 LYS C C 56 178.800 178.782 0.018 1
1 598 . 8 1 1 A 56 56 LYS CA C 56 58.300 59.696 -1.396 1
1 599 . 8 1 1 A 56 56 LYS CB C 56 32.900 32.292 0.608 1
1 603 . 8 1 1 A 56 56 LYS N N 56 115.600 118.653 -3.053 1
1 604 . 8 1 1 A 57 57 GLN H H 57 7.590 7.752 -0.162 1
1 605 . 8 1 1 A 57 57 GLN HA H 57 4.010 4.032 -0.022 1
1 612 . 8 1 1 A 57 57 GLN C C 57 178.300 178.980 -0.680 1
1 613 . 8 1 1 A 57 57 GLN CA C 57 58.400 58.847 -0.447 1
1 614 . 8 1 1 A 57 57 GLN CB C 57 28.600 28.280 0.320 1
1 617 . 8 1 1 A 57 57 GLN N N 57 117.900 118.114 -0.214 1
1 619 . 8 1 1 A 58 58 VAL H H 58 7.650 8.042 -0.392 1
1 620 . 8 1 1 A 58 58 VAL HA H 58 3.750 3.738 0.012 1
1 628 . 8 1 1 A 58 58 VAL C C 58 176.400 176.015 0.385 1
1 629 . 8 1 1 A 58 58 VAL CA C 58 65.500 65.942 -0.442 1
1 630 . 8 1 1 A 58 58 VAL CB C 58 32.000 32.215 -0.215 1
1 633 . 8 1 1 A 58 58 VAL N N 58 120.200 118.159 2.041 1
1 634 . 8 1 1 A 59 59 TYR H H 59 8.700 8.019 0.681 1
1 635 . 8 1 1 A 59 59 TYR HA H 59 5.040 4.901 0.139 1
1 642 . 8 1 1 A 59 59 TYR C C 59 174.100 174.182 -0.082 1
1 643 . 8 1 1 A 59 59 TYR CA C 59 55.500 56.079 -0.579 1
1 644 . 8 1 1 A 59 59 TYR CB C 59 40.500 41.528 -1.028 1
1 649 . 8 1 1 A 59 59 TYR N N 59 120.400 120.291 0.109 1
1 650 . 8 1 1 A 60 60 ALA H H 60 8.900 8.174 0.726 1
1 651 . 8 1 1 A 60 60 ALA HA H 60 4.230 4.099 0.131 1
1 655 . 8 1 1 A 60 60 ALA CA C 60 55.400 52.538 2.862 1
1 656 . 8 1 1 A 60 60 ALA CB C 60 18.100 19.064 -0.964 1
1 657 . 8 1 1 A 60 60 ALA N N 60 131.000 129.384 1.616 1
1 658 . 8 1 1 A 61 61 ASN H H 61 5.430 9.070 -3.640 1
1 659 . 8 1 1 A 61 61 ASN HA H 61 4.760 4.362 0.398 1
1 664 . 8 1 1 A 61 61 ASN C C 61 173.200 175.414 -2.214 1
1 665 . 8 1 1 A 61 61 ASN CA C 61 51.800 54.001 -2.201 1
1 666 . 8 1 1 A 61 61 ASN CB C 61 37.600 37.312 0.288 1
1 668 . 8 1 1 A 61 61 ASN N N 61 111.100 118.818 -7.718 1
1 670 . 8 1 1 A 62 62 VAL H H 62 6.870 7.948 -1.078 1
1 671 . 8 1 1 A 62 62 VAL HA H 62 3.730 4.189 -0.459 1
1 679 . 8 1 1 A 62 62 VAL C C 62 172.400 175.164 -2.764 1
1 680 . 8 1 1 A 62 62 VAL CA C 62 62.500 62.574 -0.074 1
1 681 . 8 1 1 A 62 62 VAL CB C 62 31.300 33.117 -1.817 1
1 684 . 8 1 1 A 62 62 VAL N N 62 120.400 119.815 0.585 1
1 685 . 8 1 1 A 63 63 GLU H H 63 7.360 8.404 -1.044 1
1 686 . 8 1 1 A 63 63 GLU HA H 63 4.590 4.994 -0.404 1
1 691 . 8 1 1 A 63 63 GLU C C 63 174.500 175.068 -0.568 1
1 692 . 8 1 1 A 63 63 GLU CA C 63 54.000 54.705 -0.705 1
1 693 . 8 1 1 A 63 63 GLU CB C 63 32.700 32.653 0.047 1
1 695 . 8 1 1 A 63 63 GLU N N 63 126.500 126.958 -0.458 1
1 696 . 8 1 1 A 64 64 TYR H H 64 8.300 8.383 -0.083 1
1 697 . 8 1 1 A 64 64 TYR HA H 64 5.400 4.965 0.435 1
1 704 . 8 1 1 A 64 64 TYR C C 64 173.400 172.040 1.360 1
1 705 . 8 1 1 A 64 64 TYR CA C 64 54.800 55.744 -0.944 1
1 706 . 8 1 1 A 64 64 TYR CB C 64 41.800 40.491 1.309 1
1 711 . 8 1 1 A 64 64 TYR N N 64 118.800 119.257 -0.457 1
1 712 . 8 1 1 A 65 65 GLU H H 65 8.470 8.319 0.151 1
1 713 . 8 1 1 A 65 65 GLU HA H 65 4.440 4.699 -0.259 1
1 718 . 8 1 1 A 65 65 GLU C C 65 173.800 173.903 -0.103 1
1 719 . 8 1 1 A 65 65 GLU CA C 65 54.600 54.974 -0.374 1
1 720 . 8 1 1 A 65 65 GLU CB C 65 35.000 33.862 1.138 1
1 722 . 8 1 1 A 65 65 GLU N N 65 121.300 120.054 1.246 1
1 723 . 8 1 1 A 66 66 VAL H H 66 8.780 8.939 -0.159 1
1 724 . 8 1 1 A 66 66 VAL HA H 66 4.600 4.947 -0.347 1
1 732 . 8 1 1 A 66 66 VAL C C 66 175.900 174.768 1.132 1
1 733 . 8 1 1 A 66 66 VAL CA C 66 60.800 59.676 1.124 1
1 734 . 8 1 1 A 66 66 VAL CB C 66 33.800 34.638 -0.838 1
1 737 . 8 1 1 A 66 66 VAL N N 66 126.000 121.935 4.065 1
1 738 . 8 1 1 A 67 67 ALA H H 67 8.400 8.519 -0.119 1
1 739 . 8 1 1 A 67 67 ALA HA H 67 4.390 4.696 -0.306 1
1 743 . 8 1 1 A 67 67 ALA CA C 67 51.100 50.748 0.352 1
1 744 . 8 1 1 A 67 67 ALA CB C 67 16.800 18.631 -1.831 1
1 745 . 8 1 1 A 67 67 ALA N N 67 132.400 131.101 1.299 1
1 746 . 8 1 1 A 68 68 PRO HA H 68 4.260 4.611 -0.351 1
1 753 . 8 1 1 A 68 68 PRO C C 68 176.400 176.152 0.248 1
1 754 . 8 1 1 A 68 68 PRO CA C 68 63.800 63.110 0.690 1
1 755 . 8 1 1 A 68 68 PRO CB C 68 31.800 32.376 -0.576 1
1 758 . 8 1 1 A 69 69 VAL H H 69 8.240 8.505 -0.265 1
1 759 . 8 1 1 A 69 69 VAL HA H 69 4.360 4.683 -0.323 1
1 767 . 8 1 1 A 69 69 VAL C C 69 175.500 174.911 0.589 1
1 768 . 8 1 1 A 69 69 VAL CA C 69 60.500 60.499 0.001 1
1 769 . 8 1 1 A 69 69 VAL CB C 69 34.200 35.748 -1.548 1
1 772 . 8 1 1 A 69 69 VAL N N 69 121.600 122.959 -1.359 1
1 773 . 8 1 1 A 70 70 ALA H H 70 8.630 8.777 -0.147 1
1 774 . 8 1 1 A 70 70 ALA HA H 70 4.370 4.390 -0.020 1
1 778 . 8 1 1 A 70 70 ALA C C 70 178.100 178.277 -0.177 1
1 779 . 8 1 1 A 70 70 ALA CA C 70 51.700 52.201 -0.501 1
1 780 . 8 1 1 A 70 70 ALA CB C 70 19.700 19.379 0.321 1
1 781 . 8 1 1 A 70 70 ALA N N 70 128.800 129.256 -0.456 1
1 782 . 8 1 1 A 71 71 ASP H H 71 8.640 9.030 -0.390 1
1 783 . 8 1 1 A 71 71 ASP HA H 71 4.330 4.357 -0.027 1
1 786 . 8 1 1 A 71 71 ASP C C 71 177.000 176.574 0.426 1
1 787 . 8 1 1 A 71 71 ASP CA C 71 57.300 56.631 0.669 1
1 788 . 8 1 1 A 71 71 ASP CB C 71 40.300 39.968 0.332 1
1 789 . 8 1 1 A 71 71 ASP N N 71 118.900 121.208 -2.308 1
1 790 . 8 1 1 A 72 72 ASN H H 72 8.100 7.756 0.344 1
1 791 . 8 1 1 A 72 72 ASN HA H 72 4.810 5.087 -0.277 1
1 796 . 8 1 1 A 72 72 ASN C C 72 175.300 175.611 -0.311 1
1 797 . 8 1 1 A 72 72 ASN CA C 72 51.900 52.823 -0.923 1
1 798 . 8 1 1 A 72 72 ASN CB C 72 37.400 39.025 -1.625 1
1 800 . 8 1 1 A 72 72 ASN N N 72 114.800 116.746 -1.946 1
1 802 . 8 1 1 A 73 73 ALA H H 73 7.580 7.347 0.233 1
1 803 . 8 1 1 A 73 73 ALA HA H 73 4.230 4.296 -0.066 1
1 807 . 8 1 1 A 73 73 ALA C C 73 176.300 177.807 -1.507 1
1 808 . 8 1 1 A 73 73 ALA CA C 73 53.200 52.895 0.305 1
1 809 . 8 1 1 A 73 73 ALA CB C 73 21.000 19.246 1.754 1
1 810 . 8 1 1 A 73 73 ALA N N 73 123.400 122.372 1.028 1
1 811 . 8 1 1 A 74 74 THR H H 74 8.220 8.083 0.137 1
1 812 . 8 1 1 A 74 74 THR HA H 74 4.560 4.251 0.309 1
1 817 . 8 1 1 A 74 74 THR C C 74 174.100 173.318 0.782 1
1 818 . 8 1 1 A 74 74 THR CA C 74 60.200 63.531 -3.331 1
1 819 . 8 1 1 A 74 74 THR CB C 74 69.900 66.776 3.124 1
1 821 . 8 1 1 A 74 74 THR N N 74 104.600 110.599 -5.999 1
1 822 . 8 1 1 A 75 75 GLU H H 75 7.310 7.478 -0.168 1
1 823 . 8 1 1 A 75 75 GLU HA H 75 5.190 4.634 0.556 1
1 828 . 8 1 1 A 75 75 GLU C C 75 173.600 173.884 -0.284 1
1 829 . 8 1 1 A 75 75 GLU CA C 75 54.100 55.140 -1.040 1
1 830 . 8 1 1 A 75 75 GLU CB C 75 34.100 32.027 2.073 1
1 832 . 8 1 1 A 75 75 GLU N N 75 119.100 118.699 0.401 1
1 833 . 8 1 1 A 76 76 LEU H H 76 8.400 8.206 0.194 1
1 834 . 8 1 1 A 76 76 LEU HA H 76 4.650 4.794 -0.144 1
1 844 . 8 1 1 A 76 76 LEU C C 76 174.100 173.872 0.228 1
1 845 . 8 1 1 A 76 76 LEU CA C 76 54.200 54.454 -0.254 1
1 846 . 8 1 1 A 76 76 LEU CB C 76 47.400 45.839 1.561 1
1 850 . 8 1 1 A 76 76 LEU N N 76 122.600 122.308 0.292 1
1 851 . 8 1 1 A 77 77 HIS H H 77 9.340 8.812 0.528 1
1 852 . 8 1 1 A 77 77 HIS HA H 77 5.440 5.395 0.045 1
1 855 . 8 1 1 A 77 77 HIS C C 77 172.700 174.392 -1.692 1
1 856 . 8 1 1 A 77 77 HIS CA C 77 54.400 54.335 0.065 1
1 857 . 8 1 1 A 77 77 HIS CB C 77 31.700 32.150 -0.450 1
1 858 . 8 1 1 A 77 77 HIS N N 77 123.500 124.093 -0.593 1
1 859 . 8 1 1 A 78 78 ALA H H 78 9.190 8.646 0.544 1
1 860 . 8 1 1 A 78 78 ALA HA H 78 5.620 4.939 0.681 1
1 864 . 8 1 1 A 78 78 ALA C C 78 175.600 175.270 0.330 1
1 865 . 8 1 1 A 78 78 ALA CA C 78 50.300 51.253 -0.953 1
1 866 . 8 1 1 A 78 78 ALA CB C 78 24.100 24.252 -0.152 1
1 867 . 8 1 1 A 78 78 ALA N N 78 124.800 124.009 0.791 1
1 868 . 8 1 1 A 79 79 ARG H H 79 8.680 8.328 0.352 1
1 869 . 8 1 1 A 79 79 ARG HA H 79 5.230 5.252 -0.022 1
1 874 . 8 1 1 A 79 79 ARG C C 79 173.900 175.111 -1.211 1
1 875 . 8 1 1 A 79 79 ARG CA C 79 55.300 54.507 0.793 1
1 876 . 8 1 1 A 79 79 ARG CB C 79 34.400 34.605 -0.205 1
1 879 . 8 1 1 A 79 79 ARG N N 79 119.100 118.301 0.799 1
1 880 . 8 1 1 A 80 80 PHE H H 80 8.970 9.158 -0.188 1
1 881 . 8 1 1 A 80 80 PHE HA H 80 4.720 5.052 -0.332 1
1 889 . 8 1 1 A 80 80 PHE C C 80 172.700 173.982 -1.282 1
1 890 . 8 1 1 A 80 80 PHE CA C 80 56.300 56.312 -0.012 1
1 891 . 8 1 1 A 80 80 PHE CB C 80 42.600 43.686 -1.086 1
1 897 . 8 1 1 A 80 80 PHE N N 80 119.200 120.727 -1.527 1
1 898 . 8 1 1 A 81 81 LYS H H 81 9.350 8.937 0.413 1
1 899 . 8 1 1 A 81 81 LYS HA H 81 4.800 4.975 -0.175 1
1 908 . 8 1 1 A 81 81 LYS C C 81 174.500 174.662 -0.162 1
1 909 . 8 1 1 A 81 81 LYS CA C 81 55.600 54.695 0.905 1
1 910 . 8 1 1 A 81 81 LYS CB C 81 35.200 35.148 0.052 1
1 914 . 8 1 1 A 81 81 LYS N N 81 124.500 122.507 1.993 1
1 915 . 8 1 1 A 82 82 PHE H H 82 8.840 8.619 0.221 1
1 916 . 8 1 1 A 82 82 PHE HA H 82 4.550 4.540 0.010 1
1 924 . 8 1 1 A 82 82 PHE C C 82 173.200 175.689 -2.489 1
1 925 . 8 1 1 A 82 82 PHE CA C 82 57.800 56.019 1.781 1
1 926 . 8 1 1 A 82 82 PHE CB C 82 40.100 42.769 -2.669 1
1 932 . 8 1 1 A 82 82 PHE N N 82 127.900 124.864 3.036 1
1 933 . 8 1 1 A 83 83 GLU H H 83 7.590 8.498 -0.908 1
1 934 . 8 1 1 A 83 83 GLU HA H 83 4.120 4.147 -0.027 1
1 939 . 8 1 1 A 83 83 GLU C C 83 177.500 176.323 1.177 1
1 940 . 8 1 1 A 83 83 GLU CA C 83 58.900 58.670 0.230 1
1 941 . 8 1 1 A 83 83 GLU CB C 83 29.900 30.488 -0.588 1
1 943 . 8 1 1 A 83 83 GLU N N 83 119.400 122.638 -3.238 1
1 944 . 8 1 1 A 84 84 VAL H H 84 7.470 7.552 -0.082 1
1 945 . 8 1 1 A 84 84 VAL HA H 84 4.770 4.680 0.090 1
1 953 . 8 1 1 A 84 84 VAL C C 84 177.100 175.298 1.802 1
1 954 . 8 1 1 A 84 84 VAL CA C 84 58.500 58.879 -0.379 1
1 955 . 8 1 1 A 84 84 VAL CB C 84 36.000 34.925 1.075 1
1 958 . 8 1 1 A 84 84 VAL N N 84 108.000 114.013 -6.013 1
1 959 . 8 1 1 A 85 85 SER H H 85 8.980 8.897 0.083 1
1 960 . 8 1 1 A 85 85 SER HA H 85 4.160 4.442 -0.282 1
1 963 . 8 1 1 A 85 85 SER C C 85 176.900 176.440 0.460 1
1 964 . 8 1 1 A 85 85 SER CA C 85 61.200 60.050 1.150 1
1 965 . 8 1 1 A 85 85 SER CB C 85 62.600 63.596 -0.996 1
1 966 . 8 1 1 A 85 85 SER N N 85 120.300 118.727 1.573 1
1 967 . 8 1 1 A 86 86 ALA H H 86 8.370 7.977 0.393 1
1 968 . 8 1 1 A 86 86 ALA HA H 86 4.000 3.926 0.074 1
1 972 . 8 1 1 A 86 86 ALA C C 86 180.500 179.534 0.966 1
1 973 . 8 1 1 A 86 86 ALA CA C 86 55.600 55.365 0.235 1
1 974 . 8 1 1 A 86 86 ALA CB C 86 18.500 18.512 -0.012 1
1 975 . 8 1 1 A 86 86 ALA N N 86 121.800 123.513 -1.713 1
1 976 . 8 1 1 A 87 87 GLU H H 87 6.920 8.235 -1.315 1
1 977 . 8 1 1 A 87 87 GLU HA H 87 3.640 3.992 -0.352 1
1 982 . 8 1 1 A 87 87 GLU C C 87 176.700 178.802 -2.102 1
1 983 . 8 1 1 A 87 87 GLU CA C 87 58.000 59.042 -1.042 1
1 984 . 8 1 1 A 87 87 GLU CB C 87 29.300 28.707 0.593 1
1 986 . 8 1 1 A 87 87 GLU N N 87 114.800 116.576 -1.776 1
1 987 . 8 1 1 A 88 88 LYS H H 88 6.520 7.682 -1.162 1
1 988 . 8 1 1 A 88 88 LYS HA H 88 3.140 3.872 -0.732 1
1 997 . 8 1 1 A 88 88 LYS C C 88 178.100 178.833 -0.733 1
1 998 . 8 1 1 A 88 88 LYS CA C 88 59.700 59.153 0.547 1
1 999 . 8 1 1 A 88 88 LYS CB C 88 32.300 32.173 0.127 1
1 1003 . 8 1 1 A 88 88 LYS N N 88 119.900 119.652 0.248 1
1 1004 . 8 1 1 A 89 89 LEU H H 89 7.920 7.875 0.045 1
1 1005 . 8 1 1 A 89 89 LEU HA H 89 4.080 4.067 0.013 1
1 1015 . 8 1 1 A 89 89 LEU C C 89 179.900 179.495 0.405 1
1 1016 . 8 1 1 A 89 89 LEU CA C 89 58.000 58.065 -0.065 1
1 1017 . 8 1 1 A 89 89 LEU CB C 89 41.500 42.036 -0.536 1
1 1021 . 8 1 1 A 89 89 LEU N N 89 118.200 119.132 -0.932 1
1 1022 . 8 1 1 A 90 90 ILE H H 90 7.570 7.695 -0.125 1
1 1023 . 8 1 1 A 90 90 ILE HA H 90 3.710 3.658 0.052 1
1 1033 . 8 1 1 A 90 90 ILE C C 90 178.000 178.432 -0.432 1
1 1034 . 8 1 1 A 90 90 ILE CA C 90 64.700 64.946 -0.246 1
1 1035 . 8 1 1 A 90 90 ILE CB C 90 37.600 37.676 -0.076 1
1 1039 . 8 1 1 A 90 90 ILE N N 90 120.400 119.148 1.252 1
1 1040 . 8 1 1 A 91 91 PHE H H 91 8.180 8.997 -0.817 1
1 1041 . 8 1 1 A 91 91 PHE HA H 91 3.920 3.919 0.001 1
1 1049 . 8 1 1 A 91 91 PHE C C 91 177.200 177.392 -0.192 1
1 1050 . 8 1 1 A 91 91 PHE CA C 91 61.600 61.529 0.071 1
1 1051 . 8 1 1 A 91 91 PHE CB C 91 39.600 39.412 0.188 1
1 1057 . 8 1 1 A 91 91 PHE N N 91 120.100 120.089 0.011 1
1 1058 . 8 1 1 A 92 92 GLU H H 92 8.470 8.586 -0.116 1
1 1059 . 8 1 1 A 92 92 GLU HA H 92 3.620 4.084 -0.464 1
1 1064 . 8 1 1 A 92 92 GLU C C 92 179.100 178.532 0.568 1
1 1065 . 8 1 1 A 92 92 GLU CA C 92 60.100 59.086 1.014 1
1 1066 . 8 1 1 A 92 92 GLU CB C 92 29.300 29.563 -0.263 1
1 1068 . 8 1 1 A 92 92 GLU N N 92 118.800 119.542 -0.742 1
1 1069 . 8 1 1 A 93 93 LEU H H 93 7.980 8.102 -0.122 1
1 1070 . 8 1 1 A 93 93 LEU HA H 93 4.000 4.033 -0.033 1
1 1080 . 8 1 1 A 93 93 LEU C C 93 180.600 178.206 2.394 1
1 1081 . 8 1 1 A 93 93 LEU CA C 93 58.300 57.755 0.545 1
1 1082 . 8 1 1 A 93 93 LEU CB C 93 41.700 41.613 0.087 1
1 1086 . 8 1 1 A 93 93 LEU N N 93 120.800 120.857 -0.057 1
1 1087 . 8 1 1 A 94 94 LYS H H 94 8.340 8.169 0.171 1
1 1088 . 8 1 1 A 94 94 LYS HA H 94 3.990 3.948 0.042 1
1 1097 . 8 1 1 A 94 94 LYS C C 94 179.600 178.718 0.882 1
1 1098 . 8 1 1 A 94 94 LYS CA C 94 59.200 58.965 0.235 1
1 1099 . 8 1 1 A 94 94 LYS CB C 94 33.100 31.846 1.254 1
1 1103 . 8 1 1 A 94 94 LYS N N 94 119.300 119.084 0.216 1
1 1104 . 8 1 1 A 95 95 THR H H 95 8.100 7.865 0.235 1
1 1105 . 8 1 1 A 95 95 THR HA H 95 3.640 3.522 0.118 1
1 1110 . 8 1 1 A 95 95 THR C C 95 176.800 176.769 0.031 1
1 1111 . 8 1 1 A 95 95 THR CA C 95 63.800 65.364 -1.564 1
1 1112 . 8 1 1 A 95 95 THR CB C 95 68.900 67.944 0.956 1
1 1114 . 8 1 1 A 95 95 THR N N 95 109.700 114.234 -4.534 1
1 1115 . 8 1 1 A 96 96 ARG H H 96 7.570 7.818 -0.248 1
1 1116 . 8 1 1 A 96 96 ARG HA H 96 4.060 3.984 0.076 1
1 1124 . 8 1 1 A 96 96 ARG C C 96 178.300 178.938 -0.638 1
1 1125 . 8 1 1 A 96 96 ARG CA C 96 59.500 60.018 -0.518 1
1 1126 . 8 1 1 A 96 96 ARG CB C 96 29.800 29.705 0.095 1
1 1130 . 8 1 1 A 96 96 ARG N N 96 123.200 121.626 1.574 1
1 1132 . 8 1 1 A 97 97 ALA H H 97 7.520 7.868 -0.348 1
1 1133 . 8 1 1 A 97 97 ALA HA H 97 4.130 4.073 0.057 1
1 1137 . 8 1 1 A 97 97 ALA C C 97 179.500 180.258 -0.758 1
1 1138 . 8 1 1 A 97 97 ALA CA C 97 54.100 54.920 -0.820 1
1 1139 . 8 1 1 A 97 97 ALA CB C 97 18.200 17.994 0.206 1
1 1140 . 8 1 1 A 97 97 ALA N N 97 119.700 121.846 -2.146 1
1 1141 . 8 1 1 A 98 98 LEU H H 98 7.370 8.238 -0.868 1
1 1142 . 8 1 1 A 98 98 LEU HA H 98 4.070 3.986 0.084 1
1 1152 . 8 1 1 A 98 98 LEU C C 98 178.800 178.387 0.413 1
1 1153 . 8 1 1 A 98 98 LEU CA C 98 56.500 58.050 -1.550 1
1 1154 . 8 1 1 A 98 98 LEU CB C 98 41.700 41.206 0.494 1
1 1158 . 8 1 1 A 98 98 LEU N N 98 118.300 120.676 -2.376 1
1 1159 . 8 1 1 A 99 99 ALA H H 99 7.940 8.299 -0.359 1
1 1160 . 8 1 1 A 99 99 ALA HA H 99 4.250 3.956 0.294 1
1 1164 . 8 1 1 A 99 99 ALA C C 99 179.100 179.348 -0.248 1
1 1165 . 8 1 1 A 99 99 ALA CA C 99 53.600 55.183 -1.583 1
1 1166 . 8 1 1 A 99 99 ALA CB C 99 18.600 18.141 0.459 1
1 1167 . 8 1 1 A 99 99 ALA N N 99 122.100 120.824 1.276 1
1 1168 . 8 1 1 A 100 100 ARG H H 100 7.840 8.096 -0.256 1
1 1169 . 8 1 1 A 100 100 ARG HA H 100 4.210 4.143 0.067 1
1 1176 . 8 1 1 A 100 100 ARG C C 100 177.100 177.096 0.004 1
1 1177 . 8 1 1 A 100 100 ARG CA C 100 57.100 58.889 -1.789 1
1 1178 . 8 1 1 A 100 100 ARG CB C 100 30.300 30.038 0.262 1
1 1181 . 8 1 1 A 100 100 ARG N N 100 117.900 116.848 1.052 1
1 1182 . 8 1 1 A 101 101 LEU H H 101 7.890 7.754 0.136 1
1 1183 . 8 1 1 A 101 101 LEU HA H 101 4.240 4.411 -0.171 1
1 1193 . 8 1 1 A 101 101 LEU C C 101 177.800 175.431 2.369 1
1 1194 . 8 1 1 A 101 101 LEU CA C 101 55.700 53.838 1.862 1
1 1195 . 8 1 1 A 101 101 LEU CB C 101 41.900 42.708 -0.808 1
1 1199 . 8 1 1 A 101 101 LEU N N 101 120.800 119.917 0.883 1
1 1200 . 8 1 1 A 102 102 GLU H H 102 8.040 8.526 -0.486 1
1 1201 . 8 1 1 A 102 102 GLU HA H 102 4.240 4.839 -0.599 1
1 1206 . 8 1 1 A 102 102 GLU C C 102 176.500 174.972 1.528 1
1 1207 . 8 1 1 A 102 102 GLU CA C 102 56.600 55.044 1.556 1
1 1208 . 8 1 1 A 102 102 GLU CB C 102 30.000 31.613 -1.613 1
1 1210 . 8 1 1 A 102 102 GLU N N 102 120.100 123.891 -3.791 1
1 1211 . 8 1 1 A 103 103 HIS H H 103 8.200 8.962 -0.762 1
1 1212 . 8 1 1 A 103 103 HIS HA H 103 4.540 5.243 -0.703 1
1 1216 . 8 1 1 A 103 103 HIS CA C 103 56.100 53.671 2.429 1
1 1217 . 8 1 1 A 103 103 HIS CB C 103 29.900 32.136 -2.236 1
1 1218 . 8 1 1 A 103 103 HIS N N 103 119.200 122.965 -3.765 1
1 1219 . 8 1 1 A 107 107 HIS HA H 107 4.560 4.288 0.272 1
1 1222 . 8 1 1 A 107 107 HIS C C 107 173.800 175.499 -1.699 1
1 1223 . 8 1 1 A 107 107 HIS CA C 107 55.800 59.149 -3.349 1
1 1224 . 8 1 1 A 107 107 HIS CB C 107 29.900 29.831 0.069 1
1 1 . 9 1 1 A 4 4 GLN HA H 4 4.360 4.369 -0.009 1
1 7 . 9 1 1 A 4 4 GLN C C 4 176.100 175.889 0.211 1
1 8 . 9 1 1 A 4 4 GLN CA C 4 56.000 55.061 0.939 1
1 9 . 9 1 1 A 4 4 GLN CB C 4 29.300 29.663 -0.363 1
1 11 . 9 1 1 A 5 5 THR H H 5 8.280 8.636 -0.356 1
1 12 . 9 1 1 A 5 5 THR HA H 5 4.320 3.940 0.380 1
1 17 . 9 1 1 A 5 5 THR C C 5 174.300 173.555 0.745 1
1 18 . 9 1 1 A 5 5 THR CA C 5 62.200 62.402 -0.202 1
1 19 . 9 1 1 A 5 5 THR CB C 5 69.600 67.400 2.200 1
1 21 . 9 1 1 A 5 5 THR N N 5 115.700 110.882 4.818 1
1 22 . 9 1 1 A 6 6 CYS H H 6 8.410 7.709 0.701 1
1 23 . 9 1 1 A 6 6 CYS HA H 6 4.540 4.880 -0.340 1
1 26 . 9 1 1 A 6 6 CYS C C 6 174.400 174.191 0.209 1
1 27 . 9 1 1 A 6 6 CYS CA C 6 58.200 58.091 0.109 1
1 28 . 9 1 1 A 6 6 CYS CB C 6 27.800 27.517 0.283 1
1 29 . 9 1 1 A 6 6 CYS N N 6 121.900 120.121 1.779 1
1 30 . 9 1 1 A 7 7 VAL H H 7 8.290 7.991 0.299 1
1 31 . 9 1 1 A 7 7 VAL HA H 7 4.090 4.519 -0.429 1
1 39 . 9 1 1 A 7 7 VAL C C 7 176.100 175.842 0.258 1
1 40 . 9 1 1 A 7 7 VAL CA C 7 62.400 60.974 1.426 1
1 41 . 9 1 1 A 7 7 VAL CB C 7 32.500 32.883 -0.383 1
1 44 . 9 1 1 A 7 7 VAL N N 7 122.700 118.973 3.727 1
1 45 . 9 1 1 A 8 8 GLU H H 8 8.510 8.792 -0.282 1
1 46 . 9 1 1 A 8 8 GLU HA H 8 4.240 4.358 -0.118 1
1 51 . 9 1 1 A 8 8 GLU C C 8 176.100 176.704 -0.604 1
1 52 . 9 1 1 A 8 8 GLU CA C 8 56.900 56.477 0.423 1
1 53 . 9 1 1 A 8 8 GLU CB C 8 30.100 29.907 0.193 1
1 55 . 9 1 1 A 8 8 GLU N N 8 124.300 122.368 1.932 1
1 56 . 9 1 1 A 9 9 ASN H H 9 8.390 7.987 0.403 1
1 57 . 9 1 1 A 9 9 ASN HA H 9 4.650 4.772 -0.122 1
1 62 . 9 1 1 A 9 9 ASN C C 9 174.900 175.016 -0.116 1
1 63 . 9 1 1 A 9 9 ASN CA C 9 53.400 53.906 -0.506 1
1 64 . 9 1 1 A 9 9 ASN CB C 9 39.000 39.053 -0.053 1
1 66 . 9 1 1 A 9 9 ASN N N 9 119.300 120.038 -0.738 1
1 68 . 9 1 1 A 10 10 GLU H H 10 8.330 8.585 -0.255 1
1 69 . 9 1 1 A 10 10 GLU HA H 10 4.250 4.633 -0.383 1
1 74 . 9 1 1 A 10 10 GLU C C 10 176.400 174.895 1.505 1
1 75 . 9 1 1 A 10 10 GLU CA C 10 56.800 56.213 0.587 1
1 76 . 9 1 1 A 10 10 GLU CB C 10 30.200 32.512 -2.312 1
1 78 . 9 1 1 A 10 10 GLU N N 10 121.400 122.185 -0.785 1
1 79 . 9 1 1 A 11 11 VAL H H 11 8.250 8.673 -0.423 1
1 80 . 9 1 1 A 11 11 VAL HA H 11 4.090 4.244 -0.154 1
1 88 . 9 1 1 A 11 11 VAL C C 11 176.100 175.013 1.087 1
1 89 . 9 1 1 A 11 11 VAL CA C 11 62.400 62.867 -0.467 1
1 90 . 9 1 1 A 11 11 VAL CB C 11 32.500 32.266 0.234 1
1 93 . 9 1 1 A 11 11 VAL N N 11 121.900 126.332 -4.432 1
1 94 . 9 1 1 A 12 12 CYS H H 12 8.450 8.946 -0.496 1
1 95 . 9 1 1 A 12 12 CYS HA H 12 4.500 5.030 -0.530 1
1 98 . 9 1 1 A 12 12 CYS C C 12 174.400 172.925 1.475 1
1 99 . 9 1 1 A 12 12 CYS CA C 12 58.300 58.036 0.264 1
1 100 . 9 1 1 A 12 12 CYS CB C 12 28.000 32.487 -4.487 1
1 101 . 9 1 1 A 12 12 CYS N N 12 123.800 127.511 -3.711 1
1 102 . 9 1 1 A 13 13 GLU H H 13 8.560 8.886 -0.326 1
1 103 . 9 1 1 A 13 13 GLU HA H 13 4.260 4.593 -0.333 1
1 108 . 9 1 1 A 13 13 GLU C C 13 176.100 175.463 0.637 1
1 109 . 9 1 1 A 13 13 GLU CA C 13 56.700 55.444 1.256 1
1 110 . 9 1 1 A 13 13 GLU CB C 13 30.200 29.656 0.544 1
1 112 . 9 1 1 A 13 13 GLU N N 13 124.100 125.193 -1.093 1
1 113 . 9 1 1 A 14 14 ALA H H 14 8.400 8.044 0.356 1
1 114 . 9 1 1 A 14 14 ALA HA H 14 4.350 3.840 0.510 1
1 118 . 9 1 1 A 14 14 ALA C C 14 177.700 175.594 2.106 1
1 119 . 9 1 1 A 14 14 ALA CA C 14 52.600 53.455 -0.855 1
1 120 . 9 1 1 A 14 14 ALA CB C 14 19.100 17.918 1.182 1
1 121 . 9 1 1 A 14 14 ALA N N 14 125.400 124.304 1.096 1
1 122 . 9 1 1 A 15 15 CYS H H 15 8.370 7.670 0.700 1
1 123 . 9 1 1 A 15 15 CYS HA H 15 4.490 4.779 -0.289 1
1 126 . 9 1 1 A 15 15 CYS C C 15 175.100 174.259 0.841 1
1 127 . 9 1 1 A 15 15 CYS CA C 15 58.400 58.381 0.019 1
1 128 . 9 1 1 A 15 15 CYS CB C 15 28.000 31.169 -3.169 1
1 129 . 9 1 1 A 15 15 CYS N N 15 118.500 114.704 3.796 1
1 130 . 9 1 1 A 16 16 GLY H H 16 8.480 8.826 -0.346 1
1 131 . 9 1 1 A 16 16 GLY HA2 H 16 3.970 3.973 -0.003 1
1 132 . 9 1 1 A 16 16 GLY HA3 H 16 3.970 3.974 -0.004 1
1 133 . 9 1 1 A 16 16 GLY C C 16 174.100 175.130 -1.030 1
1 134 . 9 1 1 A 16 16 GLY CA C 16 45.400 46.345 -0.945 1
1 135 . 9 1 1 A 16 16 GLY N N 16 111.300 114.129 -2.829 1
1 136 . 9 1 1 A 17 17 CYS H H 17 8.300 8.077 0.223 1
1 137 . 9 1 1 A 17 17 CYS HA H 17 4.500 4.162 0.338 1
1 140 . 9 1 1 A 17 17 CYS C C 17 174.500 175.551 -1.051 1
1 141 . 9 1 1 A 17 17 CYS CA C 17 58.300 62.342 -4.042 1
1 142 . 9 1 1 A 17 17 CYS CB C 17 28.100 26.563 1.537 1
1 143 . 9 1 1 A 17 17 CYS N N 17 118.900 118.705 0.195 1
1 144 . 9 1 1 A 18 18 ALA H H 18 8.520 7.642 0.878 1
1 145 . 9 1 1 A 18 18 ALA HA H 18 4.260 4.172 0.088 1
1 149 . 9 1 1 A 18 18 ALA C C 18 178.000 177.747 0.253 1
1 150 . 9 1 1 A 18 18 ALA CA C 18 52.900 52.956 -0.056 1
1 151 . 9 1 1 A 18 18 ALA CB C 18 19.000 19.386 -0.386 1
1 152 . 9 1 1 A 18 18 ALA N N 18 126.800 122.163 4.637 1
1 153 . 9 1 1 A 19 19 GLY H H 19 8.310 8.413 -0.103 1
1 154 . 9 1 1 A 19 19 GLY HA2 H 19 3.890 4.150 -0.260 1
1 155 . 9 1 1 A 19 19 GLY HA3 H 19 3.890 4.152 -0.262 1
1 156 . 9 1 1 A 19 19 GLY C C 19 174.000 174.562 -0.562 1
1 157 . 9 1 1 A 19 19 GLY CA C 19 45.000 45.320 -0.320 1
1 158 . 9 1 1 A 19 19 GLY N N 19 108.100 108.848 -0.748 1
1 159 . 9 1 1 A 20 20 GLU H H 20 8.180 8.011 0.169 1
1 160 . 9 1 1 A 20 20 GLU HA H 20 4.270 4.342 -0.072 1
1 165 . 9 1 1 A 20 20 GLU C C 20 176.400 176.142 0.258 1
1 166 . 9 1 1 A 20 20 GLU CA C 20 56.200 56.613 -0.413 1
1 167 . 9 1 1 A 20 20 GLU CB C 20 30.100 29.997 0.103 1
1 169 . 9 1 1 A 20 20 GLU N N 20 120.500 119.442 1.058 1
1 170 . 9 1 1 A 21 21 ILE H H 21 8.160 8.295 -0.135 1
1 171 . 9 1 1 A 21 21 ILE HA H 21 4.020 4.700 -0.680 1
1 181 . 9 1 1 A 21 21 ILE C C 21 176.400 175.944 0.456 1
1 182 . 9 1 1 A 21 21 ILE CA C 21 61.200 59.626 1.574 1
1 183 . 9 1 1 A 21 21 ILE CB C 21 38.200 38.992 -0.792 1
1 187 . 9 1 1 A 21 21 ILE N N 21 122.000 123.794 -1.794 1
1 188 . 9 1 1 A 22 22 GLY H H 22 8.260 8.218 0.042 1
1 189 . 9 1 1 A 22 22 GLY HA2 H 22 3.740 3.998 -0.258 1
1 190 . 9 1 1 A 22 22 GLY HA3 H 22 3.880 4.146 -0.266 1
1 191 . 9 1 1 A 22 22 GLY C C 22 173.200 171.914 1.286 1
1 192 . 9 1 1 A 22 22 GLY CA C 22 45.100 46.065 -0.965 1
1 193 . 9 1 1 A 22 22 GLY N N 22 112.500 112.903 -0.403 1
1 194 . 9 1 1 A 23 23 PHE H H 23 7.890 8.661 -0.771 1
1 195 . 9 1 1 A 23 23 PHE HA H 23 4.550 5.014 -0.464 1
1 202 . 9 1 1 A 23 23 PHE CA C 23 58.100 57.522 0.578 1
1 203 . 9 1 1 A 23 23 PHE CB C 23 41.200 42.016 -0.816 1
1 206 . 9 1 1 A 23 23 PHE N N 23 119.700 121.943 -2.243 1
1 207 . 9 1 1 A 24 24 ILE HA H 24 3.970 4.529 -0.559 1
1 217 . 9 1 1 A 24 24 ILE CA C 24 62.400 60.202 2.198 1
1 218 . 9 1 1 A 24 24 ILE CB C 24 37.700 41.054 -3.354 1
1 222 . 9 1 1 A 25 25 ILE H H 25 8.950 8.730 0.220 1
1 223 . 9 1 1 A 25 25 ILE HA H 25 3.740 4.111 -0.371 1
1 233 . 9 1 1 A 25 25 ILE C C 25 175.200 176.373 -1.173 1
1 234 . 9 1 1 A 25 25 ILE CA C 25 62.700 63.703 -1.003 1
1 235 . 9 1 1 A 25 25 ILE CB C 25 38.200 38.247 -0.047 1
1 239 . 9 1 1 A 25 25 ILE N N 25 124.800 130.078 -5.278 1
1 240 . 9 1 1 A 26 26 ARG H H 26 8.040 8.069 -0.029 1
1 241 . 9 1 1 A 26 26 ARG HA H 26 4.140 4.580 -0.440 1
1 248 . 9 1 1 A 26 26 ARG C C 26 175.900 176.027 -0.127 1
1 249 . 9 1 1 A 26 26 ARG CA C 26 55.300 56.409 -1.109 1
1 250 . 9 1 1 A 26 26 ARG CB C 26 31.100 33.662 -2.562 1
1 253 . 9 1 1 A 26 26 ARG N N 26 128.100 118.609 9.491 1
1 254 . 9 1 1 A 27 27 GLU H H 27 8.560 8.179 0.381 1
1 255 . 9 1 1 A 27 27 GLU HA H 27 4.030 4.418 -0.388 1
1 260 . 9 1 1 A 27 27 GLU C C 27 176.300 176.025 0.275 1
1 261 . 9 1 1 A 27 27 GLU CA C 27 57.000 58.303 -1.303 1
1 262 . 9 1 1 A 27 27 GLU CB C 27 30.000 28.573 1.427 1
1 264 . 9 1 1 A 27 27 GLU N N 27 123.500 118.092 5.408 1
1 265 . 9 1 1 A 28 28 GLY H H 28 8.420 8.645 -0.225 1
1 266 . 9 1 1 A 28 28 GLY HA2 H 28 4.050 4.122 -0.072 1
1 267 . 9 1 1 A 28 28 GLY HA3 H 28 4.220 4.124 0.096 1
1 268 . 9 1 1 A 28 28 GLY C C 28 174.000 174.842 -0.842 1
1 269 . 9 1 1 A 28 28 GLY CA C 28 45.400 43.858 1.542 1
1 270 . 9 1 1 A 28 28 GLY N N 28 108.300 109.620 -1.320 1
1 271 . 9 1 1 A 29 29 ASP H H 29 8.690 8.845 -0.155 1
1 272 . 9 1 1 A 29 29 ASP HA H 29 4.430 4.496 -0.066 1
1 275 . 9 1 1 A 29 29 ASP C C 29 175.200 177.071 -1.871 1
1 276 . 9 1 1 A 29 29 ASP CA C 29 56.300 55.990 0.310 1
1 277 . 9 1 1 A 29 29 ASP CB C 29 40.300 40.267 0.033 1
1 278 . 9 1 1 A 29 29 ASP N N 29 119.800 121.483 -1.683 1
1 279 . 9 1 1 A 30 30 ASP H H 30 8.630 7.978 0.652 1
1 280 . 9 1 1 A 30 30 ASP HA H 30 4.260 4.826 -0.566 1
1 283 . 9 1 1 A 30 30 ASP C C 30 174.300 174.981 -0.681 1
1 284 . 9 1 1 A 30 30 ASP CA C 30 52.600 54.950 -2.350 1
1 285 . 9 1 1 A 30 30 ASP CB C 30 39.200 41.208 -2.008 1
1 286 . 9 1 1 A 30 30 ASP N N 30 114.900 118.186 -3.286 1
1 287 . 9 1 1 A 31 31 VAL H H 31 7.550 7.568 -0.018 1
1 288 . 9 1 1 A 31 31 VAL HA H 31 5.300 4.956 0.344 1
1 296 . 9 1 1 A 31 31 VAL C C 31 175.800 174.924 0.876 1
1 297 . 9 1 1 A 31 31 VAL CA C 31 60.700 60.282 0.418 1
1 298 . 9 1 1 A 31 31 VAL CB C 31 35.000 35.512 -0.512 1
1 301 . 9 1 1 A 31 31 VAL N N 31 120.500 119.497 1.003 1
1 302 . 9 1 1 A 32 32 ALA H H 32 9.580 9.536 0.044 1
1 303 . 9 1 1 A 32 32 ALA HA H 32 5.030 5.332 -0.302 1
1 307 . 9 1 1 A 32 32 ALA C C 32 175.800 175.269 0.531 1
1 308 . 9 1 1 A 32 32 ALA CA C 32 50.000 50.205 -0.205 1
1 309 . 9 1 1 A 32 32 ALA CB C 32 22.800 22.998 -0.198 1
1 310 . 9 1 1 A 32 32 ALA N N 32 130.500 129.342 1.158 1
1 311 . 9 1 1 A 33 33 GLU H H 33 9.270 8.952 0.318 1
1 312 . 9 1 1 A 33 33 GLU HA H 33 5.140 5.118 0.022 1
1 317 . 9 1 1 A 33 33 GLU C C 33 175.900 175.440 0.460 1
1 318 . 9 1 1 A 33 33 GLU CA C 33 55.300 55.275 0.025 1
1 319 . 9 1 1 A 33 33 GLU CB C 33 31.500 32.480 -0.980 1
1 321 . 9 1 1 A 33 33 GLU N N 33 124.500 121.525 2.975 1
1 322 . 9 1 1 A 34 34 VAL H H 34 9.140 9.129 0.011 1
1 323 . 9 1 1 A 34 34 VAL HA H 34 4.580 5.119 -0.539 1
1 331 . 9 1 1 A 34 34 VAL C C 34 174.300 174.783 -0.483 1
1 332 . 9 1 1 A 34 34 VAL CA C 34 60.800 60.853 -0.053 1
1 333 . 9 1 1 A 34 34 VAL CB C 34 35.700 34.852 0.848 1
1 336 . 9 1 1 A 34 34 VAL N N 34 124.700 127.340 -2.640 1
1 337 . 9 1 1 A 35 35 SER H H 35 8.450 8.810 -0.360 1
1 338 . 9 1 1 A 35 35 SER HA H 35 5.060 5.454 -0.394 1
1 341 . 9 1 1 A 35 35 SER C C 35 172.100 172.975 -0.875 1
1 342 . 9 1 1 A 35 35 SER CA C 35 56.900 57.283 -0.383 1
1 343 . 9 1 1 A 35 35 SER CB C 35 64.800 65.692 -0.892 1
1 344 . 9 1 1 A 35 35 SER N N 35 122.100 121.612 0.488 1
1 345 . 9 1 1 A 36 36 LEU H H 36 8.540 8.591 -0.051 1
1 346 . 9 1 1 A 36 36 LEU HA H 36 4.570 4.971 -0.401 1
1 356 . 9 1 1 A 36 36 LEU C C 36 174.200 175.062 -0.862 1
1 357 . 9 1 1 A 36 36 LEU CA C 36 52.600 53.643 -1.043 1
1 358 . 9 1 1 A 36 36 LEU CB C 36 45.600 45.812 -0.212 1
1 362 . 9 1 1 A 36 36 LEU N N 36 123.600 124.987 -1.387 1
1 363 . 9 1 1 A 37 37 PHE H H 37 8.400 8.400 0.000 1
1 364 . 9 1 1 A 37 37 PHE HA H 37 5.300 5.303 -0.003 1
1 369 . 9 1 1 A 37 37 PHE C C 37 175.600 174.566 1.034 1
1 370 . 9 1 1 A 37 37 PHE CA C 37 56.300 55.895 0.405 1
1 371 . 9 1 1 A 37 37 PHE CB C 37 42.000 42.142 -0.142 1
1 374 . 9 1 1 A 37 37 PHE N N 37 118.300 118.758 -0.458 1
1 375 . 9 1 1 A 38 38 GLY H H 38 8.340 8.439 -0.099 1
1 376 . 9 1 1 A 38 38 GLY HA2 H 38 3.750 4.237 -0.487 1
1 377 . 9 1 1 A 38 38 GLY HA3 H 38 4.210 4.392 -0.182 1
1 378 . 9 1 1 A 38 38 GLY CA C 38 45.600 44.393 1.207 1
1 379 . 9 1 1 A 38 38 GLY N N 38 109.300 107.657 1.643 1
1 380 . 9 1 1 A 39 39 SER HA H 39 4.210 4.364 -0.154 1
1 383 . 9 1 1 A 39 39 SER C C 39 173.700 173.220 0.480 1
1 384 . 9 1 1 A 39 39 SER CA C 39 60.100 59.187 0.913 1
1 385 . 9 1 1 A 39 39 SER CB C 39 63.900 62.772 1.128 1
1 386 . 9 1 1 A 40 40 ASP H H 40 7.670 8.379 -0.709 1
1 387 . 9 1 1 A 40 40 ASP HA H 40 4.810 4.941 -0.131 1
1 390 . 9 1 1 A 40 40 ASP C C 40 175.500 176.436 -0.936 1
1 391 . 9 1 1 A 40 40 ASP CA C 40 52.900 52.439 0.461 1
1 392 . 9 1 1 A 40 40 ASP CB C 40 41.300 41.436 -0.136 1
1 393 . 9 1 1 A 40 40 ASP N N 40 115.800 120.710 -4.910 1
1 394 . 9 1 1 A 41 41 LYS H H 41 8.260 8.632 -0.372 1
1 395 . 9 1 1 A 41 41 LYS HA H 41 3.780 3.940 -0.160 1
1 404 . 9 1 1 A 41 41 LYS C C 41 177.100 178.121 -1.021 1
1 405 . 9 1 1 A 41 41 LYS CA C 41 60.500 59.221 1.279 1
1 406 . 9 1 1 A 41 41 LYS CB C 41 33.400 31.963 1.437 1
1 410 . 9 1 1 A 41 41 LYS N N 41 120.200 120.736 -0.536 1
1 411 . 9 1 1 A 42 42 ALA H H 42 8.420 7.998 0.422 1
1 412 . 9 1 1 A 42 42 ALA HA H 42 4.180 4.169 0.011 1
1 416 . 9 1 1 A 42 42 ALA C C 42 181.900 179.922 1.978 1
1 417 . 9 1 1 A 42 42 ALA CA C 42 55.400 55.056 0.344 1
1 418 . 9 1 1 A 42 42 ALA CB C 42 17.700 18.415 -0.715 1
1 419 . 9 1 1 A 42 42 ALA N N 42 120.700 121.777 -1.077 1
1 420 . 9 1 1 A 43 43 HIS H H 43 8.490 7.882 0.608 1
1 421 . 9 1 1 A 43 43 HIS HA H 43 4.330 4.326 0.004 1
1 424 . 9 1 1 A 43 43 HIS C C 43 178.800 177.122 1.678 1
1 425 . 9 1 1 A 43 43 HIS CA C 43 59.600 59.849 -0.249 1
1 426 . 9 1 1 A 43 43 HIS CB C 43 30.300 30.303 -0.003 1
1 427 . 9 1 1 A 43 43 HIS N N 43 118.000 117.999 0.001 1
1 428 . 9 1 1 A 44 44 LEU H H 44 8.340 8.065 0.275 1
1 429 . 9 1 1 A 44 44 LEU HA H 44 3.750 3.627 0.123 1
1 439 . 9 1 1 A 44 44 LEU C C 44 178.500 179.000 -0.500 1
1 440 . 9 1 1 A 44 44 LEU CA C 44 58.200 57.837 0.363 1
1 441 . 9 1 1 A 44 44 LEU CB C 44 42.100 41.270 0.830 1
1 445 . 9 1 1 A 44 44 LEU N N 44 121.500 119.054 2.446 1
1 446 . 9 1 1 A 45 45 GLU H H 45 8.880 8.584 0.296 1
1 447 . 9 1 1 A 45 45 GLU HA H 45 3.750 3.987 -0.237 1
1 452 . 9 1 1 A 45 45 GLU C C 45 180.200 179.917 0.283 1
1 453 . 9 1 1 A 45 45 GLU CA C 45 60.000 59.404 0.596 1
1 454 . 9 1 1 A 45 45 GLU CB C 45 29.000 29.068 -0.068 1
1 456 . 9 1 1 A 45 45 GLU N N 45 118.300 118.099 0.201 1
1 457 . 9 1 1 A 46 46 GLY H H 46 7.970 8.031 -0.061 1
1 458 . 9 1 1 A 46 46 GLY HA2 H 46 3.920 3.633 0.287 1
1 459 . 9 1 1 A 46 46 GLY HA3 H 46 3.920 3.688 0.232 1
1 460 . 9 1 1 A 46 46 GLY C C 46 176.500 175.632 0.868 1
1 461 . 9 1 1 A 46 46 GLY CA C 46 46.900 47.392 -0.492 1
1 462 . 9 1 1 A 46 46 GLY N N 46 108.100 109.666 -1.566 1
1 463 . 9 1 1 A 47 47 LYS H H 47 7.690 7.437 0.253 1
1 464 . 9 1 1 A 47 47 LYS HA H 47 4.320 3.853 0.467 1
1 473 . 9 1 1 A 47 47 LYS C C 47 179.400 179.030 0.370 1
1 474 . 9 1 1 A 47 47 LYS CA C 47 58.400 59.126 -0.726 1
1 475 . 9 1 1 A 47 47 LYS CB C 47 32.100 31.847 0.253 1
1 479 . 9 1 1 A 47 47 LYS N N 47 122.400 121.959 0.441 1
1 480 . 9 1 1 A 48 48 LEU H H 48 8.550 8.012 0.538 1
1 481 . 9 1 1 A 48 48 LEU HA H 48 3.980 3.936 0.044 1
1 491 . 9 1 1 A 48 48 LEU C C 48 178.300 178.212 0.088 1
1 492 . 9 1 1 A 48 48 LEU CA C 48 57.900 57.716 0.184 1
1 493 . 9 1 1 A 48 48 LEU CB C 48 40.800 41.250 -0.450 1
1 497 . 9 1 1 A 48 48 LEU N N 48 120.600 121.055 -0.455 1
1 498 . 9 1 1 A 49 49 ALA H H 49 7.810 8.479 -0.669 1
1 499 . 9 1 1 A 49 49 ALA HA H 49 4.000 4.010 -0.010 1
1 503 . 9 1 1 A 49 49 ALA C C 49 180.400 179.503 0.897 1
1 504 . 9 1 1 A 49 49 ALA CA C 49 55.600 55.461 0.139 1
1 505 . 9 1 1 A 49 49 ALA CB C 49 17.900 18.351 -0.451 1
1 506 . 9 1 1 A 49 49 ALA N N 49 120.000 119.888 0.112 1
1 507 . 9 1 1 A 50 50 GLU H H 50 7.520 7.742 -0.222 1
1 508 . 9 1 1 A 50 50 GLU HA H 50 4.130 4.296 -0.166 1
1 513 . 9 1 1 A 50 50 GLU C C 50 179.600 178.959 0.641 1
1 514 . 9 1 1 A 50 50 GLU CA C 50 59.200 60.102 -0.902 1
1 515 . 9 1 1 A 50 50 GLU CB C 50 29.800 29.192 0.608 1
1 517 . 9 1 1 A 50 50 GLU N N 50 117.300 119.533 -2.233 1
1 518 . 9 1 1 A 51 51 TYR H H 51 7.860 8.674 -0.814 1
1 519 . 9 1 1 A 51 51 TYR HA H 51 3.900 4.399 -0.499 1
1 526 . 9 1 1 A 51 51 TYR C C 51 177.900 178.472 -0.572 1
1 527 . 9 1 1 A 51 51 TYR CA C 51 62.400 60.934 1.466 1
1 528 . 9 1 1 A 51 51 TYR CB C 51 38.200 38.278 -0.078 1
1 533 . 9 1 1 A 51 51 TYR N N 51 120.300 119.781 0.519 1
1 534 . 9 1 1 A 52 52 ILE H H 52 8.590 8.369 0.221 1
1 535 . 9 1 1 A 52 52 ILE HA H 52 3.420 3.673 -0.253 1
1 545 . 9 1 1 A 52 52 ILE C C 52 177.400 178.029 -0.629 1
1 546 . 9 1 1 A 52 52 ILE CA C 52 66.200 65.239 0.961 1
1 547 . 9 1 1 A 52 52 ILE CB C 52 38.200 38.000 0.200 1
1 551 . 9 1 1 A 52 52 ILE N N 52 120.100 120.804 -0.704 1
1 552 . 9 1 1 A 53 53 SER H H 53 7.860 8.105 -0.245 1
1 553 . 9 1 1 A 53 53 SER HA H 53 4.080 4.232 -0.152 1
1 556 . 9 1 1 A 53 53 SER C C 53 177.700 178.006 -0.306 1
1 557 . 9 1 1 A 53 53 SER CA C 53 61.800 61.854 -0.054 1
1 558 . 9 1 1 A 53 53 SER CB C 53 62.600 62.252 0.348 1
1 559 . 9 1 1 A 53 53 SER N N 53 113.100 115.250 -2.150 1
1 560 . 9 1 1 A 54 54 LEU H H 54 7.610 8.063 -0.453 1
1 561 . 9 1 1 A 54 54 LEU HA H 54 4.090 4.121 -0.031 1
1 571 . 9 1 1 A 54 54 LEU C C 54 178.600 179.092 -0.492 1
1 572 . 9 1 1 A 54 54 LEU CA C 54 58.000 57.696 0.304 1
1 573 . 9 1 1 A 54 54 LEU CB C 54 42.200 41.671 0.529 1
1 577 . 9 1 1 A 54 54 LEU N N 54 121.200 122.780 -1.580 1
1 578 . 9 1 1 A 55 55 ALA H H 55 8.640 8.427 0.213 1
1 579 . 9 1 1 A 55 55 ALA HA H 55 3.860 4.014 -0.154 1
1 583 . 9 1 1 A 55 55 ALA C C 55 179.100 179.111 -0.011 1
1 584 . 9 1 1 A 55 55 ALA CA C 55 56.200 55.226 0.974 1
1 585 . 9 1 1 A 55 55 ALA CB C 55 19.000 17.870 1.130 1
1 586 . 9 1 1 A 55 55 ALA N N 55 121.900 122.052 -0.152 1
1 587 . 9 1 1 A 56 56 LYS H H 56 8.120 8.226 -0.106 1
1 588 . 9 1 1 A 56 56 LYS HA H 56 4.220 4.119 0.101 1
1 597 . 9 1 1 A 56 56 LYS C C 56 178.800 178.855 -0.055 1
1 598 . 9 1 1 A 56 56 LYS CA C 56 58.300 59.722 -1.422 1
1 599 . 9 1 1 A 56 56 LYS CB C 56 32.900 32.501 0.399 1
1 603 . 9 1 1 A 56 56 LYS N N 56 115.600 118.462 -2.862 1
1 604 . 9 1 1 A 57 57 GLN H H 57 7.590 7.736 -0.146 1
1 605 . 9 1 1 A 57 57 GLN HA H 57 4.010 4.032 -0.022 1
1 612 . 9 1 1 A 57 57 GLN C C 57 178.300 178.988 -0.688 1
1 613 . 9 1 1 A 57 57 GLN CA C 57 58.400 58.812 -0.412 1
1 614 . 9 1 1 A 57 57 GLN CB C 57 28.600 28.343 0.257 1
1 617 . 9 1 1 A 57 57 GLN N N 57 117.900 118.104 -0.204 1
1 619 . 9 1 1 A 58 58 VAL H H 58 7.650 7.695 -0.045 1
1 620 . 9 1 1 A 58 58 VAL HA H 58 3.750 3.813 -0.063 1
1 628 . 9 1 1 A 58 58 VAL C C 58 176.400 176.046 0.354 1
1 629 . 9 1 1 A 58 58 VAL CA C 58 65.500 66.030 -0.530 1
1 630 . 9 1 1 A 58 58 VAL CB C 58 32.000 32.323 -0.323 1
1 633 . 9 1 1 A 58 58 VAL N N 58 120.200 117.817 2.383 1
1 634 . 9 1 1 A 59 59 TYR H H 59 8.700 8.505 0.195 1
1 635 . 9 1 1 A 59 59 TYR HA H 59 5.040 4.854 0.186 1
1 642 . 9 1 1 A 59 59 TYR C C 59 174.100 174.366 -0.266 1
1 643 . 9 1 1 A 59 59 TYR CA C 59 55.500 56.246 -0.746 1
1 644 . 9 1 1 A 59 59 TYR CB C 59 40.500 41.815 -1.315 1
1 649 . 9 1 1 A 59 59 TYR N N 59 120.400 120.520 -0.120 1
1 650 . 9 1 1 A 60 60 ALA H H 60 8.900 8.111 0.789 1
1 651 . 9 1 1 A 60 60 ALA HA H 60 4.230 4.091 0.139 1
1 655 . 9 1 1 A 60 60 ALA CA C 60 55.400 52.224 3.176 1
1 656 . 9 1 1 A 60 60 ALA CB C 60 18.100 19.038 -0.938 1
1 657 . 9 1 1 A 60 60 ALA N N 60 131.000 129.152 1.848 1
1 658 . 9 1 1 A 61 61 ASN H H 61 5.430 8.956 -3.526 1
1 659 . 9 1 1 A 61 61 ASN HA H 61 4.760 4.459 0.301 1
1 664 . 9 1 1 A 61 61 ASN C C 61 173.200 175.092 -1.892 1
1 665 . 9 1 1 A 61 61 ASN CA C 61 51.800 53.798 -1.998 1
1 666 . 9 1 1 A 61 61 ASN CB C 61 37.600 36.149 1.451 1
1 668 . 9 1 1 A 61 61 ASN N N 61 111.100 120.680 -9.580 1
1 670 . 9 1 1 A 62 62 VAL H H 62 6.870 7.940 -1.070 1
1 671 . 9 1 1 A 62 62 VAL HA H 62 3.730 4.549 -0.819 1
1 679 . 9 1 1 A 62 62 VAL C C 62 172.400 174.519 -2.119 1
1 680 . 9 1 1 A 62 62 VAL CA C 62 62.500 62.164 0.336 1
1 681 . 9 1 1 A 62 62 VAL CB C 62 31.300 32.702 -1.402 1
1 684 . 9 1 1 A 62 62 VAL N N 62 120.400 121.446 -1.046 1
1 685 . 9 1 1 A 63 63 GLU H H 63 7.360 8.646 -1.286 1
1 686 . 9 1 1 A 63 63 GLU HA H 63 4.590 4.962 -0.372 1
1 691 . 9 1 1 A 63 63 GLU C C 63 174.500 175.411 -0.911 1
1 692 . 9 1 1 A 63 63 GLU CA C 63 54.000 54.756 -0.756 1
1 693 . 9 1 1 A 63 63 GLU CB C 63 32.700 32.796 -0.096 1
1 695 . 9 1 1 A 63 63 GLU N N 63 126.500 127.280 -0.780 1
1 696 . 9 1 1 A 64 64 TYR H H 64 8.300 8.464 -0.164 1
1 697 . 9 1 1 A 64 64 TYR HA H 64 5.400 5.098 0.302 1
1 704 . 9 1 1 A 64 64 TYR C C 64 173.400 172.871 0.529 1
1 705 . 9 1 1 A 64 64 TYR CA C 64 54.800 55.571 -0.771 1
1 706 . 9 1 1 A 64 64 TYR CB C 64 41.800 41.543 0.257 1
1 711 . 9 1 1 A 64 64 TYR N N 64 118.800 118.553 0.247 1
1 712 . 9 1 1 A 65 65 GLU H H 65 8.470 8.561 -0.091 1
1 713 . 9 1 1 A 65 65 GLU HA H 65 4.440 4.820 -0.380 1
1 718 . 9 1 1 A 65 65 GLU C C 65 173.800 174.745 -0.945 1
1 719 . 9 1 1 A 65 65 GLU CA C 65 54.600 54.976 -0.376 1
1 720 . 9 1 1 A 65 65 GLU CB C 65 35.000 34.438 0.562 1
1 722 . 9 1 1 A 65 65 GLU N N 65 121.300 119.222 2.078 1
1 723 . 9 1 1 A 66 66 VAL H H 66 8.780 8.834 -0.054 1
1 724 . 9 1 1 A 66 66 VAL HA H 66 4.600 4.890 -0.290 1
1 732 . 9 1 1 A 66 66 VAL C C 66 175.900 174.411 1.489 1
1 733 . 9 1 1 A 66 66 VAL CA C 66 60.800 59.486 1.314 1
1 734 . 9 1 1 A 66 66 VAL CB C 66 33.800 34.810 -1.010 1
1 737 . 9 1 1 A 66 66 VAL N N 66 126.000 121.525 4.475 1
1 738 . 9 1 1 A 67 67 ALA H H 67 8.400 8.464 -0.064 1
1 739 . 9 1 1 A 67 67 ALA HA H 67 4.390 4.571 -0.181 1
1 743 . 9 1 1 A 67 67 ALA CA C 67 51.100 50.962 0.138 1
1 744 . 9 1 1 A 67 67 ALA CB C 67 16.800 18.483 -1.683 1
1 745 . 9 1 1 A 67 67 ALA N N 67 132.400 131.046 1.354 1
1 746 . 9 1 1 A 68 68 PRO HA H 68 4.260 4.511 -0.251 1
1 753 . 9 1 1 A 68 68 PRO C C 68 176.400 176.134 0.266 1
1 754 . 9 1 1 A 68 68 PRO CA C 68 63.800 63.381 0.419 1
1 755 . 9 1 1 A 68 68 PRO CB C 68 31.800 32.151 -0.351 1
1 758 . 9 1 1 A 69 69 VAL H H 69 8.240 8.511 -0.271 1
1 759 . 9 1 1 A 69 69 VAL HA H 69 4.360 4.641 -0.281 1
1 767 . 9 1 1 A 69 69 VAL C C 69 175.500 175.192 0.308 1
1 768 . 9 1 1 A 69 69 VAL CA C 69 60.500 60.662 -0.162 1
1 769 . 9 1 1 A 69 69 VAL CB C 69 34.200 35.691 -1.491 1
1 772 . 9 1 1 A 69 69 VAL N N 69 121.600 123.707 -2.107 1
1 773 . 9 1 1 A 70 70 ALA H H 70 8.630 8.734 -0.104 1
1 774 . 9 1 1 A 70 70 ALA HA H 70 4.370 4.536 -0.166 1
1 778 . 9 1 1 A 70 70 ALA C C 70 178.100 177.952 0.148 1
1 779 . 9 1 1 A 70 70 ALA CA C 70 51.700 51.755 -0.055 1
1 780 . 9 1 1 A 70 70 ALA CB C 70 19.700 19.897 -0.197 1
1 781 . 9 1 1 A 70 70 ALA N N 70 128.800 129.266 -0.466 1
1 782 . 9 1 1 A 71 71 ASP H H 71 8.640 9.039 -0.399 1
1 783 . 9 1 1 A 71 71 ASP HA H 71 4.330 4.334 -0.004 1
1 786 . 9 1 1 A 71 71 ASP C C 71 177.000 177.585 -0.585 1
1 787 . 9 1 1 A 71 71 ASP CA C 71 57.300 57.493 -0.193 1
1 788 . 9 1 1 A 71 71 ASP CB C 71 40.300 40.735 -0.435 1
1 789 . 9 1 1 A 71 71 ASP N N 71 118.900 122.176 -3.276 1
1 790 . 9 1 1 A 72 72 ASN H H 72 8.100 7.627 0.473 1
1 791 . 9 1 1 A 72 72 ASN HA H 72 4.810 4.863 -0.053 1
1 796 . 9 1 1 A 72 72 ASN C C 72 175.300 175.091 0.209 1
1 797 . 9 1 1 A 72 72 ASN CA C 72 51.900 53.353 -1.453 1
1 798 . 9 1 1 A 72 72 ASN CB C 72 37.400 39.065 -1.665 1
1 800 . 9 1 1 A 72 72 ASN N N 72 114.800 114.921 -0.121 1
1 802 . 9 1 1 A 73 73 ALA H H 73 7.580 7.197 0.383 1
1 803 . 9 1 1 A 73 73 ALA HA H 73 4.230 4.255 -0.025 1
1 807 . 9 1 1 A 73 73 ALA C C 73 176.300 177.144 -0.844 1
1 808 . 9 1 1 A 73 73 ALA CA C 73 53.200 52.668 0.532 1
1 809 . 9 1 1 A 73 73 ALA CB C 73 21.000 19.050 1.950 1
1 810 . 9 1 1 A 73 73 ALA N N 73 123.400 122.859 0.541 1
1 811 . 9 1 1 A 74 74 THR H H 74 8.220 8.789 -0.569 1
1 812 . 9 1 1 A 74 74 THR HA H 74 4.560 4.531 0.029 1
1 817 . 9 1 1 A 74 74 THR C C 74 174.100 173.972 0.128 1
1 818 . 9 1 1 A 74 74 THR CA C 74 60.200 63.222 -3.022 1
1 819 . 9 1 1 A 74 74 THR CB C 74 69.900 69.848 0.052 1
1 821 . 9 1 1 A 74 74 THR N N 74 104.600 115.260 -10.660 1
1 822 . 9 1 1 A 75 75 GLU H H 75 7.310 7.697 -0.387 1
1 823 . 9 1 1 A 75 75 GLU HA H 75 5.190 5.090 0.100 1
1 828 . 9 1 1 A 75 75 GLU C C 75 173.600 173.712 -0.112 1
1 829 . 9 1 1 A 75 75 GLU CA C 75 54.100 55.463 -1.363 1
1 830 . 9 1 1 A 75 75 GLU CB C 75 34.100 33.353 0.747 1
1 832 . 9 1 1 A 75 75 GLU N N 75 119.100 120.039 -0.939 1
1 833 . 9 1 1 A 76 76 LEU H H 76 8.400 9.211 -0.811 1
1 834 . 9 1 1 A 76 76 LEU HA H 76 4.650 5.217 -0.567 1
1 844 . 9 1 1 A 76 76 LEU C C 76 174.100 174.011 0.089 1
1 845 . 9 1 1 A 76 76 LEU CA C 76 54.200 53.028 1.172 1
1 846 . 9 1 1 A 76 76 LEU CB C 76 47.400 46.053 1.347 1
1 850 . 9 1 1 A 76 76 LEU N N 76 122.600 125.802 -3.202 1
1 851 . 9 1 1 A 77 77 HIS H H 77 9.340 8.814 0.526 1
1 852 . 9 1 1 A 77 77 HIS HA H 77 5.440 5.257 0.183 1
1 855 . 9 1 1 A 77 77 HIS C C 77 172.700 174.689 -1.989 1
1 856 . 9 1 1 A 77 77 HIS CA C 77 54.400 54.837 -0.437 1
1 857 . 9 1 1 A 77 77 HIS CB C 77 31.700 31.792 -0.092 1
1 858 . 9 1 1 A 77 77 HIS N N 77 123.500 124.565 -1.065 1
1 859 . 9 1 1 A 78 78 ALA H H 78 9.190 8.999 0.191 1
1 860 . 9 1 1 A 78 78 ALA HA H 78 5.620 5.073 0.547 1
1 864 . 9 1 1 A 78 78 ALA C C 78 175.600 175.416 0.184 1
1 865 . 9 1 1 A 78 78 ALA CA C 78 50.300 51.278 -0.978 1
1 866 . 9 1 1 A 78 78 ALA CB C 78 24.100 23.941 0.159 1
1 867 . 9 1 1 A 78 78 ALA N N 78 124.800 122.687 2.113 1
1 868 . 9 1 1 A 79 79 ARG H H 79 8.680 8.399 0.281 1
1 869 . 9 1 1 A 79 79 ARG HA H 79 5.230 5.330 -0.100 1
1 874 . 9 1 1 A 79 79 ARG C C 79 173.900 175.000 -1.100 1
1 875 . 9 1 1 A 79 79 ARG CA C 79 55.300 54.429 0.871 1
1 876 . 9 1 1 A 79 79 ARG CB C 79 34.400 34.663 -0.263 1
1 879 . 9 1 1 A 79 79 ARG N N 79 119.100 119.295 -0.195 1
1 880 . 9 1 1 A 80 80 PHE H H 80 8.970 8.990 -0.020 1
1 881 . 9 1 1 A 80 80 PHE HA H 80 4.720 5.007 -0.287 1
1 889 . 9 1 1 A 80 80 PHE C C 80 172.700 173.978 -1.278 1
1 890 . 9 1 1 A 80 80 PHE CA C 80 56.300 56.279 0.021 1
1 891 . 9 1 1 A 80 80 PHE CB C 80 42.600 43.520 -0.920 1
1 897 . 9 1 1 A 80 80 PHE N N 80 119.200 121.055 -1.855 1
1 898 . 9 1 1 A 81 81 LYS H H 81 9.350 8.580 0.770 1
1 899 . 9 1 1 A 81 81 LYS HA H 81 4.800 4.925 -0.125 1
1 908 . 9 1 1 A 81 81 LYS C C 81 174.500 174.656 -0.156 1
1 909 . 9 1 1 A 81 81 LYS CA C 81 55.600 54.740 0.860 1
1 910 . 9 1 1 A 81 81 LYS CB C 81 35.200 34.167 1.033 1
1 914 . 9 1 1 A 81 81 LYS N N 81 124.500 122.704 1.796 1
1 915 . 9 1 1 A 82 82 PHE H H 82 8.840 9.140 -0.300 1
1 916 . 9 1 1 A 82 82 PHE HA H 82 4.550 4.468 0.082 1
1 924 . 9 1 1 A 82 82 PHE C C 82 173.200 175.914 -2.714 1
1 925 . 9 1 1 A 82 82 PHE CA C 82 57.800 56.709 1.091 1
1 926 . 9 1 1 A 82 82 PHE CB C 82 40.100 41.698 -1.598 1
1 932 . 9 1 1 A 82 82 PHE N N 82 127.900 125.235 2.665 1
1 933 . 9 1 1 A 83 83 GLU H H 83 7.590 8.399 -0.809 1
1 934 . 9 1 1 A 83 83 GLU HA H 83 4.120 4.104 0.016 1
1 939 . 9 1 1 A 83 83 GLU C C 83 177.500 176.304 1.196 1
1 940 . 9 1 1 A 83 83 GLU CA C 83 58.900 58.797 0.103 1
1 941 . 9 1 1 A 83 83 GLU CB C 83 29.900 30.339 -0.439 1
1 943 . 9 1 1 A 83 83 GLU N N 83 119.400 123.046 -3.646 1
1 944 . 9 1 1 A 84 84 VAL H H 84 7.470 7.592 -0.122 1
1 945 . 9 1 1 A 84 84 VAL HA H 84 4.770 4.554 0.216 1
1 953 . 9 1 1 A 84 84 VAL C C 84 177.100 175.911 1.189 1
1 954 . 9 1 1 A 84 84 VAL CA C 84 58.500 58.834 -0.334 1
1 955 . 9 1 1 A 84 84 VAL CB C 84 36.000 35.242 0.758 1
1 958 . 9 1 1 A 84 84 VAL N N 84 108.000 114.036 -6.036 1
1 959 . 9 1 1 A 85 85 SER H H 85 8.980 9.067 -0.087 1
1 960 . 9 1 1 A 85 85 SER HA H 85 4.160 4.208 -0.048 1
1 963 . 9 1 1 A 85 85 SER C C 85 176.900 176.463 0.437 1
1 964 . 9 1 1 A 85 85 SER CA C 85 61.200 61.188 0.012 1
1 965 . 9 1 1 A 85 85 SER CB C 85 62.600 63.166 -0.566 1
1 966 . 9 1 1 A 85 85 SER N N 85 120.300 119.918 0.382 1
1 967 . 9 1 1 A 86 86 ALA H H 86 8.370 8.287 0.083 1
1 968 . 9 1 1 A 86 86 ALA HA H 86 4.000 3.873 0.127 1
1 972 . 9 1 1 A 86 86 ALA C C 86 180.500 179.768 0.732 1
1 973 . 9 1 1 A 86 86 ALA CA C 86 55.600 55.313 0.287 1
1 974 . 9 1 1 A 86 86 ALA CB C 86 18.500 18.641 -0.141 1
1 975 . 9 1 1 A 86 86 ALA N N 86 121.800 123.243 -1.443 1
1 976 . 9 1 1 A 87 87 GLU H H 87 6.920 7.862 -0.942 1
1 977 . 9 1 1 A 87 87 GLU HA H 87 3.640 3.900 -0.260 1
1 982 . 9 1 1 A 87 87 GLU C C 87 176.700 178.797 -2.097 1
1 983 . 9 1 1 A 87 87 GLU CA C 87 58.000 59.068 -1.068 1
1 984 . 9 1 1 A 87 87 GLU CB C 87 29.300 29.091 0.209 1
1 986 . 9 1 1 A 87 87 GLU N N 87 114.800 117.903 -3.103 1
1 987 . 9 1 1 A 88 88 LYS H H 88 6.520 7.573 -1.053 1
1 988 . 9 1 1 A 88 88 LYS HA H 88 3.140 3.610 -0.470 1
1 997 . 9 1 1 A 88 88 LYS C C 88 178.100 178.738 -0.638 1
1 998 . 9 1 1 A 88 88 LYS CA C 88 59.700 59.015 0.685 1
1 999 . 9 1 1 A 88 88 LYS CB C 88 32.300 31.993 0.307 1
1 1003 . 9 1 1 A 88 88 LYS N N 88 119.900 121.313 -1.413 1
1 1004 . 9 1 1 A 89 89 LEU H H 89 7.920 7.778 0.142 1
1 1005 . 9 1 1 A 89 89 LEU HA H 89 4.080 3.985 0.095 1
1 1015 . 9 1 1 A 89 89 LEU C C 89 179.900 178.112 1.788 1
1 1016 . 9 1 1 A 89 89 LEU CA C 89 58.000 58.202 -0.202 1
1 1017 . 9 1 1 A 89 89 LEU CB C 89 41.500 41.455 0.045 1
1 1021 . 9 1 1 A 89 89 LEU N N 89 118.200 120.388 -2.188 1
1 1022 . 9 1 1 A 90 90 ILE H H 90 7.570 7.679 -0.109 1
1 1023 . 9 1 1 A 90 90 ILE HA H 90 3.710 3.550 0.160 1
1 1033 . 9 1 1 A 90 90 ILE C C 90 178.000 178.150 -0.150 1
1 1034 . 9 1 1 A 90 90 ILE CA C 90 64.700 65.159 -0.459 1
1 1035 . 9 1 1 A 90 90 ILE CB C 90 37.600 37.709 -0.109 1
1 1039 . 9 1 1 A 90 90 ILE N N 90 120.400 119.520 0.880 1
1 1040 . 9 1 1 A 91 91 PHE H H 91 8.180 8.872 -0.692 1
1 1041 . 9 1 1 A 91 91 PHE HA H 91 3.920 3.874 0.046 1
1 1049 . 9 1 1 A 91 91 PHE C C 91 177.200 177.141 0.059 1
1 1050 . 9 1 1 A 91 91 PHE CA C 91 61.600 61.369 0.231 1
1 1051 . 9 1 1 A 91 91 PHE CB C 91 39.600 39.251 0.349 1
1 1057 . 9 1 1 A 91 91 PHE N N 91 120.100 120.089 0.011 1
1 1058 . 9 1 1 A 92 92 GLU H H 92 8.470 8.399 0.071 1
1 1059 . 9 1 1 A 92 92 GLU HA H 92 3.620 3.835 -0.215 1
1 1064 . 9 1 1 A 92 92 GLU C C 92 179.100 179.119 -0.019 1
1 1065 . 9 1 1 A 92 92 GLU CA C 92 60.100 59.255 0.845 1
1 1066 . 9 1 1 A 92 92 GLU CB C 92 29.300 29.261 0.039 1
1 1068 . 9 1 1 A 92 92 GLU N N 92 118.800 118.973 -0.173 1
1 1069 . 9 1 1 A 93 93 LEU H H 93 7.980 7.823 0.157 1
1 1070 . 9 1 1 A 93 93 LEU HA H 93 4.000 3.917 0.083 1
1 1080 . 9 1 1 A 93 93 LEU C C 93 180.600 179.215 1.385 1
1 1081 . 9 1 1 A 93 93 LEU CA C 93 58.300 57.991 0.309 1
1 1082 . 9 1 1 A 93 93 LEU CB C 93 41.700 41.445 0.255 1
1 1086 . 9 1 1 A 93 93 LEU N N 93 120.800 120.366 0.434 1
1 1087 . 9 1 1 A 94 94 LYS H H 94 8.340 8.187 0.153 1
1 1088 . 9 1 1 A 94 94 LYS HA H 94 3.990 3.770 0.220 1
1 1097 . 9 1 1 A 94 94 LYS C C 94 179.600 178.981 0.619 1
1 1098 . 9 1 1 A 94 94 LYS CA C 94 59.200 59.956 -0.756 1
1 1099 . 9 1 1 A 94 94 LYS CB C 94 33.100 31.949 1.151 1
1 1103 . 9 1 1 A 94 94 LYS N N 94 119.300 120.339 -1.039 1
1 1104 . 9 1 1 A 95 95 THR H H 95 8.100 7.887 0.213 1
1 1105 . 9 1 1 A 95 95 THR HA H 95 3.640 3.438 0.202 1
1 1110 . 9 1 1 A 95 95 THR C C 95 176.800 176.718 0.082 1
1 1111 . 9 1 1 A 95 95 THR CA C 95 63.800 65.283 -1.483 1
1 1112 . 9 1 1 A 95 95 THR CB C 95 68.900 67.420 1.480 1
1 1114 . 9 1 1 A 95 95 THR N N 95 109.700 113.740 -4.040 1
1 1115 . 9 1 1 A 96 96 ARG H H 96 7.570 7.834 -0.264 1
1 1116 . 9 1 1 A 96 96 ARG HA H 96 4.060 3.975 0.085 1
1 1124 . 9 1 1 A 96 96 ARG C C 96 178.300 178.964 -0.664 1
1 1125 . 9 1 1 A 96 96 ARG CA C 96 59.500 59.953 -0.453 1
1 1126 . 9 1 1 A 96 96 ARG CB C 96 29.800 29.773 0.027 1
1 1130 . 9 1 1 A 96 96 ARG N N 96 123.200 121.581 1.619 1
1 1132 . 9 1 1 A 97 97 ALA H H 97 7.520 8.352 -0.832 1
1 1133 . 9 1 1 A 97 97 ALA HA H 97 4.130 4.085 0.045 1
1 1137 . 9 1 1 A 97 97 ALA C C 97 179.500 180.471 -0.971 1
1 1138 . 9 1 1 A 97 97 ALA CA C 97 54.100 54.966 -0.866 1
1 1139 . 9 1 1 A 97 97 ALA CB C 97 18.200 18.131 0.069 1
1 1140 . 9 1 1 A 97 97 ALA N N 97 119.700 121.850 -2.150 1
1 1141 . 9 1 1 A 98 98 LEU H H 98 7.370 7.807 -0.437 1
1 1142 . 9 1 1 A 98 98 LEU HA H 98 4.070 4.060 0.010 1
1 1152 . 9 1 1 A 98 98 LEU C C 98 178.800 178.264 0.536 1
1 1153 . 9 1 1 A 98 98 LEU CA C 98 56.500 57.846 -1.346 1
1 1154 . 9 1 1 A 98 98 LEU CB C 98 41.700 41.456 0.244 1
1 1158 . 9 1 1 A 98 98 LEU N N 98 118.300 120.585 -2.285 1
1 1159 . 9 1 1 A 99 99 ALA H H 99 7.940 7.789 0.151 1
1 1160 . 9 1 1 A 99 99 ALA HA H 99 4.250 4.108 0.142 1
1 1164 . 9 1 1 A 99 99 ALA C C 99 179.100 178.964 0.136 1
1 1165 . 9 1 1 A 99 99 ALA CA C 99 53.600 54.503 -0.903 1
1 1166 . 9 1 1 A 99 99 ALA CB C 99 18.600 18.230 0.370 1
1 1167 . 9 1 1 A 99 99 ALA N N 99 122.100 120.300 1.800 1
1 1168 . 9 1 1 A 100 100 ARG H H 100 7.840 7.445 0.395 1
1 1169 . 9 1 1 A 100 100 ARG HA H 100 4.210 4.237 -0.027 1
1 1176 . 9 1 1 A 100 100 ARG C C 100 177.100 177.147 -0.047 1
1 1177 . 9 1 1 A 100 100 ARG CA C 100 57.100 57.160 -0.060 1
1 1178 . 9 1 1 A 100 100 ARG CB C 100 30.300 29.790 0.510 1
1 1181 . 9 1 1 A 100 100 ARG N N 100 117.900 116.334 1.566 1
1 1182 . 9 1 1 A 101 101 LEU H H 101 7.890 7.706 0.184 1
1 1183 . 9 1 1 A 101 101 LEU HA H 101 4.240 4.325 -0.085 1
1 1193 . 9 1 1 A 101 101 LEU C C 101 177.800 176.982 0.818 1
1 1194 . 9 1 1 A 101 101 LEU CA C 101 55.700 54.760 0.940 1
1 1195 . 9 1 1 A 101 101 LEU CB C 101 41.900 41.449 0.451 1
1 1199 . 9 1 1 A 101 101 LEU N N 101 120.800 117.714 3.086 1
1 1200 . 9 1 1 A 102 102 GLU H H 102 8.040 7.511 0.529 1
1 1201 . 9 1 1 A 102 102 GLU HA H 102 4.240 4.484 -0.244 1
1 1206 . 9 1 1 A 102 102 GLU C C 102 176.500 176.278 0.222 1
1 1207 . 9 1 1 A 102 102 GLU CA C 102 56.600 56.937 -0.337 1
1 1208 . 9 1 1 A 102 102 GLU CB C 102 30.000 29.989 0.011 1
1 1210 . 9 1 1 A 102 102 GLU N N 102 120.100 119.318 0.782 1
1 1211 . 9 1 1 A 103 103 HIS H H 103 8.200 8.799 -0.599 1
1 1212 . 9 1 1 A 103 103 HIS HA H 103 4.540 4.851 -0.311 1
1 1216 . 9 1 1 A 103 103 HIS CA C 103 56.100 53.719 2.381 1
1 1217 . 9 1 1 A 103 103 HIS CB C 103 29.900 28.465 1.435 1
1 1218 . 9 1 1 A 103 103 HIS N N 103 119.200 124.482 -5.282 1
1 1219 . 9 1 1 A 107 107 HIS HA H 107 4.560 4.237 0.323 1
1 1222 . 9 1 1 A 107 107 HIS C C 107 173.800 177.602 -3.802 1
1 1223 . 9 1 1 A 107 107 HIS CA C 107 55.800 59.399 -3.599 1
1 1224 . 9 1 1 A 107 107 HIS CB C 107 29.900 29.587 0.313 1
1 1 . 10 1 1 A 4 4 GLN HA H 4 4.360 4.409 -0.049 1
1 7 . 10 1 1 A 4 4 GLN C C 4 176.100 176.390 -0.290 1
1 8 . 10 1 1 A 4 4 GLN CA C 4 56.000 56.262 -0.262 1
1 9 . 10 1 1 A 4 4 GLN CB C 4 29.300 29.255 0.045 1
1 11 . 10 1 1 A 5 5 THR H H 5 8.280 8.511 -0.231 1
1 12 . 10 1 1 A 5 5 THR HA H 5 4.320 4.711 -0.391 1
1 17 . 10 1 1 A 5 5 THR C C 5 174.300 174.216 0.084 1
1 18 . 10 1 1 A 5 5 THR CA C 5 62.200 61.149 1.051 1
1 19 . 10 1 1 A 5 5 THR CB C 5 69.600 70.450 -0.850 1
1 21 . 10 1 1 A 5 5 THR N N 5 115.700 115.525 0.175 1
1 22 . 10 1 1 A 6 6 CYS H H 6 8.410 8.607 -0.197 1
1 23 . 10 1 1 A 6 6 CYS HA H 6 4.540 5.356 -0.816 1
1 26 . 10 1 1 A 6 6 CYS C C 6 174.400 172.878 1.522 1
1 27 . 10 1 1 A 6 6 CYS CA C 6 58.200 57.469 0.731 1
1 28 . 10 1 1 A 6 6 CYS CB C 6 27.800 30.791 -2.991 1
1 29 . 10 1 1 A 6 6 CYS N N 6 121.900 119.818 2.082 1
1 30 . 10 1 1 A 7 7 VAL H H 7 8.290 8.604 -0.314 1
1 31 . 10 1 1 A 7 7 VAL HA H 7 4.090 4.388 -0.298 1
1 39 . 10 1 1 A 7 7 VAL C C 7 176.100 175.847 0.253 1
1 40 . 10 1 1 A 7 7 VAL CA C 7 62.400 61.547 0.853 1
1 41 . 10 1 1 A 7 7 VAL CB C 7 32.500 32.641 -0.141 1
1 44 . 10 1 1 A 7 7 VAL N N 7 122.700 124.767 -2.067 1
1 45 . 10 1 1 A 8 8 GLU H H 8 8.510 8.973 -0.463 1
1 46 . 10 1 1 A 8 8 GLU HA H 8 4.240 4.106 0.134 1
1 51 . 10 1 1 A 8 8 GLU C C 8 176.100 176.728 -0.628 1
1 52 . 10 1 1 A 8 8 GLU CA C 8 56.900 57.279 -0.379 1
1 53 . 10 1 1 A 8 8 GLU CB C 8 30.100 28.225 1.875 1
1 55 . 10 1 1 A 8 8 GLU N N 8 124.300 125.190 -0.890 1
1 56 . 10 1 1 A 9 9 ASN H H 9 8.390 8.285 0.105 1
1 57 . 10 1 1 A 9 9 ASN HA H 9 4.650 4.742 -0.092 1
1 62 . 10 1 1 A 9 9 ASN C C 9 174.900 176.122 -1.222 1
1 63 . 10 1 1 A 9 9 ASN CA C 9 53.400 53.401 -0.001 1
1 64 . 10 1 1 A 9 9 ASN CB C 9 39.000 37.951 1.049 1
1 66 . 10 1 1 A 9 9 ASN N N 9 119.300 119.398 -0.098 1
1 68 . 10 1 1 A 10 10 GLU H H 10 8.330 8.383 -0.053 1
1 69 . 10 1 1 A 10 10 GLU HA H 10 4.250 4.361 -0.111 1
1 74 . 10 1 1 A 10 10 GLU C C 10 176.400 176.372 0.028 1
1 75 . 10 1 1 A 10 10 GLU CA C 10 56.800 56.724 0.076 1
1 76 . 10 1 1 A 10 10 GLU CB C 10 30.200 29.239 0.961 1
1 78 . 10 1 1 A 10 10 GLU N N 10 121.400 116.526 4.874 1
1 79 . 10 1 1 A 11 11 VAL H H 11 8.250 7.478 0.772 1
1 80 . 10 1 1 A 11 11 VAL HA H 11 4.090 4.125 -0.035 1
1 88 . 10 1 1 A 11 11 VAL C C 11 176.100 175.338 0.762 1
1 89 . 10 1 1 A 11 11 VAL CA C 11 62.400 62.522 -0.122 1
1 90 . 10 1 1 A 11 11 VAL CB C 11 32.500 32.503 -0.003 1
1 93 . 10 1 1 A 11 11 VAL N N 11 121.900 120.971 0.929 1
1 94 . 10 1 1 A 12 12 CYS H H 12 8.450 8.790 -0.340 1
1 95 . 10 1 1 A 12 12 CYS HA H 12 4.500 4.938 -0.438 1
1 98 . 10 1 1 A 12 12 CYS C C 12 174.400 173.660 0.740 1
1 99 . 10 1 1 A 12 12 CYS CA C 12 58.300 57.788 0.512 1
1 100 . 10 1 1 A 12 12 CYS CB C 12 28.000 26.945 1.055 1
1 101 . 10 1 1 A 12 12 CYS N N 12 123.800 127.555 -3.755 1
1 102 . 10 1 1 A 13 13 GLU H H 13 8.560 8.895 -0.335 1
1 103 . 10 1 1 A 13 13 GLU HA H 13 4.260 4.626 -0.366 1
1 108 . 10 1 1 A 13 13 GLU C C 13 176.100 176.385 -0.285 1
1 109 . 10 1 1 A 13 13 GLU CA C 13 56.700 56.390 0.310 1
1 110 . 10 1 1 A 13 13 GLU CB C 13 30.200 30.753 -0.553 1
1 112 . 10 1 1 A 13 13 GLU N N 13 124.100 126.606 -2.506 1
1 113 . 10 1 1 A 14 14 ALA H H 14 8.400 8.313 0.087 1
1 114 . 10 1 1 A 14 14 ALA HA H 14 4.350 4.729 -0.379 1
1 118 . 10 1 1 A 14 14 ALA C C 14 177.700 177.287 0.413 1
1 119 . 10 1 1 A 14 14 ALA CA C 14 52.600 51.407 1.193 1
1 120 . 10 1 1 A 14 14 ALA CB C 14 19.100 19.986 -0.886 1
1 121 . 10 1 1 A 14 14 ALA N N 14 125.400 127.924 -2.524 1
1 122 . 10 1 1 A 15 15 CYS H H 15 8.370 8.672 -0.302 1
1 123 . 10 1 1 A 15 15 CYS HA H 15 4.490 4.959 -0.469 1
1 126 . 10 1 1 A 15 15 CYS C C 15 175.100 174.706 0.394 1
1 127 . 10 1 1 A 15 15 CYS CA C 15 58.400 58.174 0.226 1
1 128 . 10 1 1 A 15 15 CYS CB C 15 28.000 31.809 -3.809 1
1 129 . 10 1 1 A 15 15 CYS N N 15 118.500 121.740 -3.240 1
1 130 . 10 1 1 A 16 16 GLY H H 16 8.480 8.793 -0.313 1
1 131 . 10 1 1 A 16 16 GLY HA2 H 16 3.970 3.936 0.034 1
1 132 . 10 1 1 A 16 16 GLY HA3 H 16 3.970 3.937 0.033 1
1 133 . 10 1 1 A 16 16 GLY C C 16 174.100 174.680 -0.580 1
1 134 . 10 1 1 A 16 16 GLY CA C 16 45.400 45.080 0.320 1
1 135 . 10 1 1 A 16 16 GLY N N 16 111.300 111.529 -0.229 1
1 136 . 10 1 1 A 17 17 CYS H H 17 8.300 8.333 -0.033 1
1 137 . 10 1 1 A 17 17 CYS HA H 17 4.500 4.103 0.397 1
1 140 . 10 1 1 A 17 17 CYS C C 17 174.500 174.182 0.318 1
1 141 . 10 1 1 A 17 17 CYS CA C 17 58.300 59.816 -1.516 1
1 142 . 10 1 1 A 17 17 CYS CB C 17 28.100 26.650 1.450 1
1 143 . 10 1 1 A 17 17 CYS N N 17 118.900 117.828 1.072 1
1 144 . 10 1 1 A 18 18 ALA H H 18 8.520 8.182 0.338 1
1 145 . 10 1 1 A 18 18 ALA HA H 18 4.260 4.222 0.038 1
1 149 . 10 1 1 A 18 18 ALA C C 18 178.000 177.428 0.572 1
1 150 . 10 1 1 A 18 18 ALA CA C 18 52.900 53.080 -0.180 1
1 151 . 10 1 1 A 18 18 ALA CB C 18 19.000 19.026 -0.026 1
1 152 . 10 1 1 A 18 18 ALA N N 18 126.800 126.871 -0.071 1
1 153 . 10 1 1 A 19 19 GLY H H 19 8.310 8.526 -0.216 1
1 154 . 10 1 1 A 19 19 GLY HA2 H 19 3.890 4.087 -0.197 1
1 155 . 10 1 1 A 19 19 GLY HA3 H 19 3.890 4.089 -0.199 1
1 156 . 10 1 1 A 19 19 GLY C C 19 174.000 174.031 -0.031 1
1 157 . 10 1 1 A 19 19 GLY CA C 19 45.000 45.778 -0.778 1
1 158 . 10 1 1 A 19 19 GLY N N 19 108.100 110.568 -2.468 1
1 159 . 10 1 1 A 20 20 GLU H H 20 8.180 8.221 -0.041 1
1 160 . 10 1 1 A 20 20 GLU HA H 20 4.270 4.087 0.183 1
1 165 . 10 1 1 A 20 20 GLU C C 20 176.400 176.565 -0.165 1
1 166 . 10 1 1 A 20 20 GLU CA C 20 56.200 57.388 -1.188 1
1 167 . 10 1 1 A 20 20 GLU CB C 20 30.100 27.106 2.994 1
1 169 . 10 1 1 A 20 20 GLU N N 20 120.500 116.799 3.701 1
1 170 . 10 1 1 A 21 21 ILE H H 21 8.160 8.325 -0.165 1
1 171 . 10 1 1 A 21 21 ILE HA H 21 4.020 4.095 -0.075 1
1 181 . 10 1 1 A 21 21 ILE C C 21 176.400 176.422 -0.022 1
1 182 . 10 1 1 A 21 21 ILE CA C 21 61.200 61.686 -0.486 1
1 183 . 10 1 1 A 21 21 ILE CB C 21 38.200 38.325 -0.125 1
1 187 . 10 1 1 A 21 21 ILE N N 21 122.000 118.347 3.653 1
1 188 . 10 1 1 A 22 22 GLY H H 22 8.260 7.925 0.335 1
1 189 . 10 1 1 A 22 22 GLY HA2 H 22 3.740 3.853 -0.113 1
1 190 . 10 1 1 A 22 22 GLY HA3 H 22 3.880 3.925 -0.045 1
1 191 . 10 1 1 A 22 22 GLY C C 22 173.200 175.315 -2.115 1
1 192 . 10 1 1 A 22 22 GLY CA C 22 45.100 46.531 -1.431 1
1 193 . 10 1 1 A 22 22 GLY N N 22 112.500 110.181 2.319 1
1 194 . 10 1 1 A 23 23 PHE H H 23 7.890 8.164 -0.274 1
1 195 . 10 1 1 A 23 23 PHE HA H 23 4.550 4.432 0.118 1
1 202 . 10 1 1 A 23 23 PHE CA C 23 58.100 57.967 0.133 1
1 203 . 10 1 1 A 23 23 PHE CB C 23 41.200 38.864 2.336 1
1 206 . 10 1 1 A 23 23 PHE N N 23 119.700 118.535 1.165 1
1 207 . 10 1 1 A 24 24 ILE HA H 24 3.970 4.052 -0.082 1
1 217 . 10 1 1 A 24 24 ILE CA C 24 62.400 60.343 2.057 1
1 218 . 10 1 1 A 24 24 ILE CB C 24 37.700 38.718 -1.018 1
1 222 . 10 1 1 A 25 25 ILE H H 25 8.950 8.564 0.386 1
1 223 . 10 1 1 A 25 25 ILE HA H 25 3.740 4.489 -0.749 1
1 233 . 10 1 1 A 25 25 ILE C C 25 175.200 176.020 -0.820 1
1 234 . 10 1 1 A 25 25 ILE CA C 25 62.700 60.504 2.196 1
1 235 . 10 1 1 A 25 25 ILE CB C 25 38.200 39.055 -0.855 1
1 239 . 10 1 1 A 25 25 ILE N N 25 124.800 125.766 -0.966 1
1 240 . 10 1 1 A 26 26 ARG H H 26 8.040 8.313 -0.273 1
1 241 . 10 1 1 A 26 26 ARG HA H 26 4.140 4.303 -0.163 1
1 248 . 10 1 1 A 26 26 ARG C C 26 175.900 176.636 -0.736 1
1 249 . 10 1 1 A 26 26 ARG CA C 26 55.300 57.184 -1.884 1
1 250 . 10 1 1 A 26 26 ARG CB C 26 31.100 30.681 0.419 1
1 253 . 10 1 1 A 26 26 ARG N N 26 128.100 126.804 1.296 1
1 254 . 10 1 1 A 27 27 GLU H H 27 8.560 8.573 -0.013 1
1 255 . 10 1 1 A 27 27 GLU HA H 27 4.030 4.295 -0.265 1
1 260 . 10 1 1 A 27 27 GLU C C 27 176.300 176.338 -0.038 1
1 261 . 10 1 1 A 27 27 GLU CA C 27 57.000 56.045 0.955 1
1 262 . 10 1 1 A 27 27 GLU CB C 27 30.000 30.712 -0.712 1
1 264 . 10 1 1 A 27 27 GLU N N 27 123.500 121.576 1.924 1
1 265 . 10 1 1 A 28 28 GLY H H 28 8.420 8.500 -0.080 1
1 266 . 10 1 1 A 28 28 GLY HA2 H 28 4.050 4.130 -0.080 1
1 267 . 10 1 1 A 28 28 GLY HA3 H 28 4.220 4.136 0.084 1
1 268 . 10 1 1 A 28 28 GLY C C 28 174.000 173.448 0.552 1
1 269 . 10 1 1 A 28 28 GLY CA C 28 45.400 44.510 0.890 1
1 270 . 10 1 1 A 28 28 GLY N N 28 108.300 108.771 -0.471 1
1 271 . 10 1 1 A 29 29 ASP H H 29 8.690 8.713 -0.023 1
1 272 . 10 1 1 A 29 29 ASP HA H 29 4.430 4.551 -0.121 1
1 275 . 10 1 1 A 29 29 ASP C C 29 175.200 176.016 -0.816 1
1 276 . 10 1 1 A 29 29 ASP CA C 29 56.300 55.483 0.817 1
1 277 . 10 1 1 A 29 29 ASP CB C 29 40.300 40.196 0.104 1
1 278 . 10 1 1 A 29 29 ASP N N 29 119.800 120.597 -0.797 1
1 279 . 10 1 1 A 30 30 ASP H H 30 8.630 8.745 -0.115 1
1 280 . 10 1 1 A 30 30 ASP HA H 30 4.260 4.862 -0.602 1
1 283 . 10 1 1 A 30 30 ASP C C 30 174.300 175.546 -1.246 1
1 284 . 10 1 1 A 30 30 ASP CA C 30 52.600 53.850 -1.250 1
1 285 . 10 1 1 A 30 30 ASP CB C 30 39.200 39.812 -0.612 1
1 286 . 10 1 1 A 30 30 ASP N N 30 114.900 124.052 -9.152 1
1 287 . 10 1 1 A 31 31 VAL H H 31 7.550 8.212 -0.662 1
1 288 . 10 1 1 A 31 31 VAL HA H 31 5.300 4.935 0.365 1
1 296 . 10 1 1 A 31 31 VAL C C 31 175.800 174.629 1.171 1
1 297 . 10 1 1 A 31 31 VAL CA C 31 60.700 60.570 0.130 1
1 298 . 10 1 1 A 31 31 VAL CB C 31 35.000 34.797 0.203 1
1 301 . 10 1 1 A 31 31 VAL N N 31 120.500 122.700 -2.200 1
1 302 . 10 1 1 A 32 32 ALA H H 32 9.580 8.975 0.605 1
1 303 . 10 1 1 A 32 32 ALA HA H 32 5.030 5.283 -0.253 1
1 307 . 10 1 1 A 32 32 ALA C C 32 175.800 175.813 -0.013 1
1 308 . 10 1 1 A 32 32 ALA CA C 32 50.000 50.502 -0.502 1
1 309 . 10 1 1 A 32 32 ALA CB C 32 22.800 23.079 -0.279 1
1 310 . 10 1 1 A 32 32 ALA N N 32 130.500 128.739 1.761 1
1 311 . 10 1 1 A 33 33 GLU H H 33 9.270 8.757 0.513 1
1 312 . 10 1 1 A 33 33 GLU HA H 33 5.140 4.929 0.211 1
1 317 . 10 1 1 A 33 33 GLU C C 33 175.900 175.860 0.040 1
1 318 . 10 1 1 A 33 33 GLU CA C 33 55.300 55.759 -0.459 1
1 319 . 10 1 1 A 33 33 GLU CB C 33 31.500 31.174 0.326 1
1 321 . 10 1 1 A 33 33 GLU N N 33 124.500 120.384 4.116 1
1 322 . 10 1 1 A 34 34 VAL H H 34 9.140 8.597 0.543 1
1 323 . 10 1 1 A 34 34 VAL HA H 34 4.580 4.961 -0.381 1
1 331 . 10 1 1 A 34 34 VAL C C 34 174.300 174.762 -0.462 1
1 332 . 10 1 1 A 34 34 VAL CA C 34 60.800 60.675 0.125 1
1 333 . 10 1 1 A 34 34 VAL CB C 34 35.700 34.649 1.051 1
1 336 . 10 1 1 A 34 34 VAL N N 34 124.700 123.593 1.107 1
1 337 . 10 1 1 A 35 35 SER H H 35 8.450 8.852 -0.402 1
1 338 . 10 1 1 A 35 35 SER HA H 35 5.060 5.280 -0.220 1
1 341 . 10 1 1 A 35 35 SER C C 35 172.100 172.925 -0.825 1
1 342 . 10 1 1 A 35 35 SER CA C 35 56.900 56.924 -0.024 1
1 343 . 10 1 1 A 35 35 SER CB C 35 64.800 65.157 -0.357 1
1 344 . 10 1 1 A 35 35 SER N N 35 122.100 122.147 -0.047 1
1 345 . 10 1 1 A 36 36 LEU H H 36 8.540 8.770 -0.230 1
1 346 . 10 1 1 A 36 36 LEU HA H 36 4.570 5.181 -0.611 1
1 356 . 10 1 1 A 36 36 LEU C C 36 174.200 175.611 -1.411 1
1 357 . 10 1 1 A 36 36 LEU CA C 36 52.600 53.516 -0.916 1
1 358 . 10 1 1 A 36 36 LEU CB C 36 45.600 45.269 0.331 1
1 362 . 10 1 1 A 36 36 LEU N N 36 123.600 128.723 -5.123 1
1 363 . 10 1 1 A 37 37 PHE H H 37 8.400 8.900 -0.500 1
1 364 . 10 1 1 A 37 37 PHE HA H 37 5.300 5.458 -0.158 1
1 369 . 10 1 1 A 37 37 PHE C C 37 175.600 174.177 1.423 1
1 370 . 10 1 1 A 37 37 PHE CA C 37 56.300 55.594 0.706 1
1 371 . 10 1 1 A 37 37 PHE CB C 37 42.000 41.847 0.153 1
1 374 . 10 1 1 A 37 37 PHE N N 37 118.300 125.272 -6.972 1
1 375 . 10 1 1 A 38 38 GLY H H 38 8.340 8.165 0.175 1
1 376 . 10 1 1 A 38 38 GLY HA2 H 38 3.750 3.881 -0.131 1
1 377 . 10 1 1 A 38 38 GLY HA3 H 38 4.210 4.114 0.096 1
1 378 . 10 1 1 A 38 38 GLY CA C 38 45.600 45.166 0.434 1
1 379 . 10 1 1 A 38 38 GLY N N 38 109.300 112.329 -3.029 1
1 380 . 10 1 1 A 39 39 SER HA H 39 4.210 4.250 -0.040 1
1 383 . 10 1 1 A 39 39 SER C C 39 173.700 174.132 -0.432 1
1 384 . 10 1 1 A 39 39 SER CA C 39 60.100 59.203 0.897 1
1 385 . 10 1 1 A 39 39 SER CB C 39 63.900 63.176 0.724 1
1 386 . 10 1 1 A 40 40 ASP H H 40 7.670 7.805 -0.135 1
1 387 . 10 1 1 A 40 40 ASP HA H 40 4.810 4.721 0.089 1
1 390 . 10 1 1 A 40 40 ASP C C 40 175.500 176.256 -0.756 1
1 391 . 10 1 1 A 40 40 ASP CA C 40 52.900 52.657 0.243 1
1 392 . 10 1 1 A 40 40 ASP CB C 40 41.300 41.512 -0.212 1
1 393 . 10 1 1 A 40 40 ASP N N 40 115.800 120.401 -4.601 1
1 394 . 10 1 1 A 41 41 LYS H H 41 8.260 8.770 -0.510 1
1 395 . 10 1 1 A 41 41 LYS HA H 41 3.780 3.948 -0.168 1
1 404 . 10 1 1 A 41 41 LYS C C 41 177.100 178.054 -0.954 1
1 405 . 10 1 1 A 41 41 LYS CA C 41 60.500 58.910 1.590 1
1 406 . 10 1 1 A 41 41 LYS CB C 41 33.400 32.029 1.371 1
1 410 . 10 1 1 A 41 41 LYS N N 41 120.200 121.217 -1.017 1
1 411 . 10 1 1 A 42 42 ALA H H 42 8.420 7.978 0.442 1
1 412 . 10 1 1 A 42 42 ALA HA H 42 4.180 4.164 0.016 1
1 416 . 10 1 1 A 42 42 ALA C C 42 181.900 179.985 1.915 1
1 417 . 10 1 1 A 42 42 ALA CA C 42 55.400 55.007 0.393 1
1 418 . 10 1 1 A 42 42 ALA CB C 42 17.700 18.245 -0.545 1
1 419 . 10 1 1 A 42 42 ALA N N 42 120.700 121.956 -1.256 1
1 420 . 10 1 1 A 43 43 HIS H H 43 8.490 7.764 0.726 1
1 421 . 10 1 1 A 43 43 HIS HA H 43 4.330 4.356 -0.026 1
1 424 . 10 1 1 A 43 43 HIS C C 43 178.800 177.076 1.724 1
1 425 . 10 1 1 A 43 43 HIS CA C 43 59.600 59.816 -0.216 1
1 426 . 10 1 1 A 43 43 HIS CB C 43 30.300 30.390 -0.090 1
1 427 . 10 1 1 A 43 43 HIS N N 43 118.000 118.005 -0.005 1
1 428 . 10 1 1 A 44 44 LEU H H 44 8.340 8.058 0.282 1
1 429 . 10 1 1 A 44 44 LEU HA H 44 3.750 3.854 -0.104 1
1 439 . 10 1 1 A 44 44 LEU C C 44 178.500 179.147 -0.647 1
1 440 . 10 1 1 A 44 44 LEU CA C 44 58.200 57.954 0.246 1
1 441 . 10 1 1 A 44 44 LEU CB C 44 42.100 41.323 0.777 1
1 445 . 10 1 1 A 44 44 LEU N N 44 121.500 119.209 2.291 1
1 446 . 10 1 1 A 45 45 GLU H H 45 8.880 8.482 0.398 1
1 447 . 10 1 1 A 45 45 GLU HA H 45 3.750 4.049 -0.299 1
1 452 . 10 1 1 A 45 45 GLU C C 45 180.200 180.014 0.186 1
1 453 . 10 1 1 A 45 45 GLU CA C 45 60.000 59.515 0.485 1
1 454 . 10 1 1 A 45 45 GLU CB C 45 29.000 29.030 -0.030 1
1 456 . 10 1 1 A 45 45 GLU N N 45 118.300 118.076 0.224 1
1 457 . 10 1 1 A 46 46 GLY H H 46 7.970 8.098 -0.128 1
1 458 . 10 1 1 A 46 46 GLY HA2 H 46 3.920 3.674 0.246 1
1 459 . 10 1 1 A 46 46 GLY HA3 H 46 3.920 3.731 0.189 1
1 460 . 10 1 1 A 46 46 GLY C C 46 176.500 175.848 0.652 1
1 461 . 10 1 1 A 46 46 GLY CA C 46 46.900 47.312 -0.412 1
1 462 . 10 1 1 A 46 46 GLY N N 46 108.100 109.847 -1.747 1
1 463 . 10 1 1 A 47 47 LYS H H 47 7.690 7.822 -0.132 1
1 464 . 10 1 1 A 47 47 LYS HA H 47 4.320 4.117 0.203 1
1 473 . 10 1 1 A 47 47 LYS C C 47 179.400 179.177 0.223 1
1 474 . 10 1 1 A 47 47 LYS CA C 47 58.400 58.723 -0.323 1
1 475 . 10 1 1 A 47 47 LYS CB C 47 32.100 31.868 0.232 1
1 479 . 10 1 1 A 47 47 LYS N N 47 122.400 121.546 0.854 1
1 480 . 10 1 1 A 48 48 LEU H H 48 8.550 8.037 0.513 1
1 481 . 10 1 1 A 48 48 LEU HA H 48 3.980 4.101 -0.121 1
1 491 . 10 1 1 A 48 48 LEU C C 48 178.300 178.454 -0.154 1
1 492 . 10 1 1 A 48 48 LEU CA C 48 57.900 57.686 0.214 1
1 493 . 10 1 1 A 48 48 LEU CB C 48 40.800 41.263 -0.463 1
1 497 . 10 1 1 A 48 48 LEU N N 48 120.600 121.150 -0.550 1
1 498 . 10 1 1 A 49 49 ALA H H 49 7.810 8.168 -0.358 1
1 499 . 10 1 1 A 49 49 ALA HA H 49 4.000 3.960 0.040 1
1 503 . 10 1 1 A 49 49 ALA C C 49 180.400 180.152 0.248 1
1 504 . 10 1 1 A 49 49 ALA CA C 49 55.600 55.349 0.251 1
1 505 . 10 1 1 A 49 49 ALA CB C 49 17.900 18.303 -0.403 1
1 506 . 10 1 1 A 49 49 ALA N N 49 120.000 120.385 -0.385 1
1 507 . 10 1 1 A 50 50 GLU H H 50 7.520 7.918 -0.398 1
1 508 . 10 1 1 A 50 50 GLU HA H 50 4.130 4.021 0.109 1
1 513 . 10 1 1 A 50 50 GLU C C 50 179.600 179.276 0.324 1
1 514 . 10 1 1 A 50 50 GLU CA C 50 59.200 59.146 0.054 1
1 515 . 10 1 1 A 50 50 GLU CB C 50 29.800 29.492 0.308 1
1 517 . 10 1 1 A 50 50 GLU N N 50 117.300 118.829 -1.529 1
1 518 . 10 1 1 A 51 51 TYR H H 51 7.860 8.232 -0.372 1
1 519 . 10 1 1 A 51 51 TYR HA H 51 3.900 4.295 -0.395 1
1 526 . 10 1 1 A 51 51 TYR C C 51 177.900 178.415 -0.515 1
1 527 . 10 1 1 A 51 51 TYR CA C 51 62.400 60.949 1.451 1
1 528 . 10 1 1 A 51 51 TYR CB C 51 38.200 38.175 0.025 1
1 533 . 10 1 1 A 51 51 TYR N N 51 120.300 119.688 0.612 1
1 534 . 10 1 1 A 52 52 ILE H H 52 8.590 8.191 0.399 1
1 535 . 10 1 1 A 52 52 ILE HA H 52 3.420 3.588 -0.168 1
1 545 . 10 1 1 A 52 52 ILE C C 52 177.400 178.057 -0.657 1
1 546 . 10 1 1 A 52 52 ILE CA C 52 66.200 65.209 0.991 1
1 547 . 10 1 1 A 52 52 ILE CB C 52 38.200 38.076 0.124 1
1 551 . 10 1 1 A 52 52 ILE N N 52 120.100 120.680 -0.580 1
1 552 . 10 1 1 A 53 53 SER H H 53 7.860 8.296 -0.436 1
1 553 . 10 1 1 A 53 53 SER HA H 53 4.080 4.206 -0.126 1
1 556 . 10 1 1 A 53 53 SER C C 53 177.700 177.644 0.056 1
1 557 . 10 1 1 A 53 53 SER CA C 53 61.800 61.499 0.301 1
1 558 . 10 1 1 A 53 53 SER CB C 53 62.600 62.958 -0.358 1
1 559 . 10 1 1 A 53 53 SER N N 53 113.100 115.965 -2.865 1
1 560 . 10 1 1 A 54 54 LEU H H 54 7.610 8.489 -0.879 1
1 561 . 10 1 1 A 54 54 LEU HA H 54 4.090 4.096 -0.006 1
1 571 . 10 1 1 A 54 54 LEU C C 54 178.600 179.121 -0.521 1
1 572 . 10 1 1 A 54 54 LEU CA C 54 58.000 57.866 0.134 1
1 573 . 10 1 1 A 54 54 LEU CB C 54 42.200 41.138 1.062 1
1 577 . 10 1 1 A 54 54 LEU N N 54 121.200 121.244 -0.044 1
1 578 . 10 1 1 A 55 55 ALA H H 55 8.640 9.004 -0.364 1
1 579 . 10 1 1 A 55 55 ALA HA H 55 3.860 4.326 -0.466 1
1 583 . 10 1 1 A 55 55 ALA C C 55 179.100 179.722 -0.622 1
1 584 . 10 1 1 A 55 55 ALA CA C 55 56.200 55.859 0.341 1
1 585 . 10 1 1 A 55 55 ALA CB C 55 19.000 19.433 -0.433 1
1 586 . 10 1 1 A 55 55 ALA N N 55 121.900 122.247 -0.347 1
1 587 . 10 1 1 A 56 56 LYS H H 56 8.120 8.121 -0.001 1
1 588 . 10 1 1 A 56 56 LYS HA H 56 4.220 4.268 -0.048 1
1 597 . 10 1 1 A 56 56 LYS C C 56 178.800 179.070 -0.270 1
1 598 . 10 1 1 A 56 56 LYS CA C 56 58.300 59.630 -1.330 1
1 599 . 10 1 1 A 56 56 LYS CB C 56 32.900 32.272 0.628 1
1 603 . 10 1 1 A 56 56 LYS N N 56 115.600 117.342 -1.742 1
1 604 . 10 1 1 A 57 57 GLN H H 57 7.590 7.747 -0.157 1
1 605 . 10 1 1 A 57 57 GLN HA H 57 4.010 4.151 -0.141 1
1 612 . 10 1 1 A 57 57 GLN C C 57 178.300 178.631 -0.331 1
1 613 . 10 1 1 A 57 57 GLN CA C 57 58.400 58.833 -0.433 1
1 614 . 10 1 1 A 57 57 GLN CB C 57 28.600 28.366 0.234 1
1 617 . 10 1 1 A 57 57 GLN N N 57 117.900 119.674 -1.774 1
1 619 . 10 1 1 A 58 58 VAL H H 58 7.650 8.183 -0.533 1
1 620 . 10 1 1 A 58 58 VAL HA H 58 3.750 3.861 -0.111 1
1 628 . 10 1 1 A 58 58 VAL C C 58 176.400 175.858 0.542 1
1 629 . 10 1 1 A 58 58 VAL CA C 58 65.500 66.045 -0.545 1
1 630 . 10 1 1 A 58 58 VAL CB C 58 32.000 32.465 -0.465 1
1 633 . 10 1 1 A 58 58 VAL N N 58 120.200 119.944 0.256 1
1 634 . 10 1 1 A 59 59 TYR H H 59 8.700 8.504 0.196 1
1 635 . 10 1 1 A 59 59 TYR HA H 59 5.040 4.910 0.130 1
1 642 . 10 1 1 A 59 59 TYR C C 59 174.100 176.464 -2.364 1
1 643 . 10 1 1 A 59 59 TYR CA C 59 55.500 56.997 -1.497 1
1 644 . 10 1 1 A 59 59 TYR CB C 59 40.500 41.572 -1.072 1
1 649 . 10 1 1 A 59 59 TYR N N 59 120.400 120.019 0.381 1
1 650 . 10 1 1 A 60 60 ALA H H 60 8.900 8.359 0.541 1
1 651 . 10 1 1 A 60 60 ALA HA H 60 4.230 3.906 0.324 1
1 655 . 10 1 1 A 60 60 ALA CA C 60 55.400 54.994 0.406 1
1 656 . 10 1 1 A 60 60 ALA CB C 60 18.100 18.744 -0.644 1
1 657 . 10 1 1 A 60 60 ALA N N 60 131.000 128.935 2.065 1
1 658 . 10 1 1 A 61 61 ASN H H 61 5.430 8.350 -2.920 1
1 659 . 10 1 1 A 61 61 ASN HA H 61 4.760 4.955 -0.195 1
1 664 . 10 1 1 A 61 61 ASN C C 61 173.200 174.036 -0.836 1
1 665 . 10 1 1 A 61 61 ASN CA C 61 51.800 52.442 -0.642 1
1 666 . 10 1 1 A 61 61 ASN CB C 61 37.600 37.744 -0.144 1
1 668 . 10 1 1 A 61 61 ASN N N 61 111.100 116.979 -5.879 1
1 670 . 10 1 1 A 62 62 VAL H H 62 6.870 8.555 -1.685 1
1 671 . 10 1 1 A 62 62 VAL HA H 62 3.730 4.649 -0.919 1
1 679 . 10 1 1 A 62 62 VAL C C 62 172.400 174.110 -1.710 1
1 680 . 10 1 1 A 62 62 VAL CA C 62 62.500 61.014 1.486 1
1 681 . 10 1 1 A 62 62 VAL CB C 62 31.300 33.331 -2.031 1
1 684 . 10 1 1 A 62 62 VAL N N 62 120.400 124.695 -4.295 1
1 685 . 10 1 1 A 63 63 GLU H H 63 7.360 8.448 -1.088 1
1 686 . 10 1 1 A 63 63 GLU HA H 63 4.590 5.066 -0.476 1
1 691 . 10 1 1 A 63 63 GLU C C 63 174.500 175.277 -0.777 1
1 692 . 10 1 1 A 63 63 GLU CA C 63 54.000 54.736 -0.736 1
1 693 . 10 1 1 A 63 63 GLU CB C 63 32.700 32.516 0.184 1
1 695 . 10 1 1 A 63 63 GLU N N 63 126.500 126.787 -0.287 1
1 696 . 10 1 1 A 64 64 TYR H H 64 8.300 8.455 -0.155 1
1 697 . 10 1 1 A 64 64 TYR HA H 64 5.400 5.281 0.119 1
1 704 . 10 1 1 A 64 64 TYR C C 64 173.400 172.862 0.538 1
1 705 . 10 1 1 A 64 64 TYR CA C 64 54.800 55.591 -0.791 1
1 706 . 10 1 1 A 64 64 TYR CB C 64 41.800 41.373 0.427 1
1 711 . 10 1 1 A 64 64 TYR N N 64 118.800 119.352 -0.552 1
1 712 . 10 1 1 A 65 65 GLU H H 65 8.470 8.526 -0.056 1
1 713 . 10 1 1 A 65 65 GLU HA H 65 4.440 4.927 -0.487 1
1 718 . 10 1 1 A 65 65 GLU C C 65 173.800 173.988 -0.188 1
1 719 . 10 1 1 A 65 65 GLU CA C 65 54.600 54.633 -0.033 1
1 720 . 10 1 1 A 65 65 GLU CB C 65 35.000 33.869 1.131 1
1 722 . 10 1 1 A 65 65 GLU N N 65 121.300 119.090 2.210 1
1 723 . 10 1 1 A 66 66 VAL H H 66 8.780 8.644 0.136 1
1 724 . 10 1 1 A 66 66 VAL HA H 66 4.600 4.703 -0.103 1
1 732 . 10 1 1 A 66 66 VAL C C 66 175.900 175.669 0.231 1
1 733 . 10 1 1 A 66 66 VAL CA C 66 60.800 60.664 0.136 1
1 734 . 10 1 1 A 66 66 VAL CB C 66 33.800 34.728 -0.928 1
1 737 . 10 1 1 A 66 66 VAL N N 66 126.000 122.660 3.340 1
1 738 . 10 1 1 A 67 67 ALA H H 67 8.400 8.553 -0.153 1
1 739 . 10 1 1 A 67 67 ALA HA H 67 4.390 4.750 -0.360 1
1 743 . 10 1 1 A 67 67 ALA CA C 67 51.100 50.791 0.309 1
1 744 . 10 1 1 A 67 67 ALA CB C 67 16.800 18.787 -1.987 1
1 745 . 10 1 1 A 67 67 ALA N N 67 132.400 130.605 1.795 1
1 746 . 10 1 1 A 68 68 PRO HA H 68 4.260 4.518 -0.258 1
1 753 . 10 1 1 A 68 68 PRO C C 68 176.400 176.038 0.362 1
1 754 . 10 1 1 A 68 68 PRO CA C 68 63.800 63.329 0.471 1
1 755 . 10 1 1 A 68 68 PRO CB C 68 31.800 32.191 -0.391 1
1 758 . 10 1 1 A 69 69 VAL H H 69 8.240 8.473 -0.233 1
1 759 . 10 1 1 A 69 69 VAL HA H 69 4.360 4.600 -0.240 1
1 767 . 10 1 1 A 69 69 VAL C C 69 175.500 175.091 0.409 1
1 768 . 10 1 1 A 69 69 VAL CA C 69 60.500 60.664 -0.164 1
1 769 . 10 1 1 A 69 69 VAL CB C 69 34.200 35.433 -1.233 1
1 772 . 10 1 1 A 69 69 VAL N N 69 121.600 123.562 -1.962 1
1 773 . 10 1 1 A 70 70 ALA H H 70 8.630 8.725 -0.095 1
1 774 . 10 1 1 A 70 70 ALA HA H 70 4.370 4.448 -0.078 1
1 778 . 10 1 1 A 70 70 ALA C C 70 178.100 177.616 0.484 1
1 779 . 10 1 1 A 70 70 ALA CA C 70 51.700 52.040 -0.340 1
1 780 . 10 1 1 A 70 70 ALA CB C 70 19.700 19.472 0.228 1
1 781 . 10 1 1 A 70 70 ALA N N 70 128.800 129.614 -0.814 1
1 782 . 10 1 1 A 71 71 ASP H H 71 8.640 8.913 -0.273 1
1 783 . 10 1 1 A 71 71 ASP HA H 71 4.330 4.291 0.039 1
1 786 . 10 1 1 A 71 71 ASP C C 71 177.000 177.087 -0.087 1
1 787 . 10 1 1 A 71 71 ASP CA C 71 57.300 57.314 -0.014 1
1 788 . 10 1 1 A 71 71 ASP CB C 71 40.300 40.680 -0.380 1
1 789 . 10 1 1 A 71 71 ASP N N 71 118.900 121.804 -2.904 1
1 790 . 10 1 1 A 72 72 ASN H H 72 8.100 7.768 0.332 1
1 791 . 10 1 1 A 72 72 ASN HA H 72 4.810 4.793 0.017 1
1 796 . 10 1 1 A 72 72 ASN C C 72 175.300 175.356 -0.056 1
1 797 . 10 1 1 A 72 72 ASN CA C 72 51.900 52.142 -0.242 1
1 798 . 10 1 1 A 72 72 ASN CB C 72 37.400 38.554 -1.154 1
1 800 . 10 1 1 A 72 72 ASN N N 72 114.800 115.509 -0.709 1
1 802 . 10 1 1 A 73 73 ALA H H 73 7.580 7.230 0.350 1
1 803 . 10 1 1 A 73 73 ALA HA H 73 4.230 4.186 0.044 1
1 807 . 10 1 1 A 73 73 ALA C C 73 176.300 178.726 -2.426 1
1 808 . 10 1 1 A 73 73 ALA CA C 73 53.200 52.776 0.424 1
1 809 . 10 1 1 A 73 73 ALA CB C 73 21.000 19.087 1.913 1
1 810 . 10 1 1 A 73 73 ALA N N 73 123.400 122.697 0.703 1
1 811 . 10 1 1 A 74 74 THR H H 74 8.220 8.880 -0.660 1
1 812 . 10 1 1 A 74 74 THR HA H 74 4.560 4.519 0.041 1
1 817 . 10 1 1 A 74 74 THR C C 74 174.100 173.609 0.491 1
1 818 . 10 1 1 A 74 74 THR CA C 74 60.200 61.972 -1.772 1
1 819 . 10 1 1 A 74 74 THR CB C 74 69.900 69.406 0.494 1
1 821 . 10 1 1 A 74 74 THR N N 74 104.600 112.172 -7.572 1
1 822 . 10 1 1 A 75 75 GLU H H 75 7.310 7.793 -0.483 1
1 823 . 10 1 1 A 75 75 GLU HA H 75 5.190 4.968 0.222 1
1 828 . 10 1 1 A 75 75 GLU C C 75 173.600 173.504 0.096 1
1 829 . 10 1 1 A 75 75 GLU CA C 75 54.100 55.283 -1.183 1
1 830 . 10 1 1 A 75 75 GLU CB C 75 34.100 32.733 1.367 1
1 832 . 10 1 1 A 75 75 GLU N N 75 119.100 119.380 -0.280 1
1 833 . 10 1 1 A 76 76 LEU H H 76 8.400 8.628 -0.228 1
1 834 . 10 1 1 A 76 76 LEU HA H 76 4.650 5.201 -0.551 1
1 844 . 10 1 1 A 76 76 LEU C C 76 174.100 173.972 0.128 1
1 845 . 10 1 1 A 76 76 LEU CA C 76 54.200 53.399 0.801 1
1 846 . 10 1 1 A 76 76 LEU CB C 76 47.400 45.756 1.644 1
1 850 . 10 1 1 A 76 76 LEU N N 76 122.600 123.326 -0.726 1
1 851 . 10 1 1 A 77 77 HIS H H 77 9.340 9.082 0.258 1
1 852 . 10 1 1 A 77 77 HIS HA H 77 5.440 5.154 0.286 1
1 855 . 10 1 1 A 77 77 HIS C C 77 172.700 174.275 -1.575 1
1 856 . 10 1 1 A 77 77 HIS CA C 77 54.400 54.483 -0.083 1
1 857 . 10 1 1 A 77 77 HIS CB C 77 31.700 32.338 -0.638 1
1 858 . 10 1 1 A 77 77 HIS N N 77 123.500 126.411 -2.911 1
1 859 . 10 1 1 A 78 78 ALA H H 78 9.190 8.365 0.825 1
1 860 . 10 1 1 A 78 78 ALA HA H 78 5.620 5.049 0.571 1
1 864 . 10 1 1 A 78 78 ALA C C 78 175.600 175.069 0.531 1
1 865 . 10 1 1 A 78 78 ALA CA C 78 50.300 50.893 -0.593 1
1 866 . 10 1 1 A 78 78 ALA CB C 78 24.100 24.098 0.002 1
1 867 . 10 1 1 A 78 78 ALA N N 78 124.800 129.378 -4.578 1
1 868 . 10 1 1 A 79 79 ARG H H 79 8.680 8.621 0.059 1
1 869 . 10 1 1 A 79 79 ARG HA H 79 5.230 5.310 -0.080 1
1 874 . 10 1 1 A 79 79 ARG C C 79 173.900 174.693 -0.793 1
1 875 . 10 1 1 A 79 79 ARG CA C 79 55.300 54.412 0.888 1
1 876 . 10 1 1 A 79 79 ARG CB C 79 34.400 34.076 0.324 1
1 879 . 10 1 1 A 79 79 ARG N N 79 119.100 121.513 -2.413 1
1 880 . 10 1 1 A 80 80 PHE H H 80 8.970 9.088 -0.118 1
1 881 . 10 1 1 A 80 80 PHE HA H 80 4.720 4.993 -0.273 1
1 889 . 10 1 1 A 80 80 PHE C C 80 172.700 173.917 -1.217 1
1 890 . 10 1 1 A 80 80 PHE CA C 80 56.300 56.267 0.033 1
1 891 . 10 1 1 A 80 80 PHE CB C 80 42.600 42.812 -0.212 1
1 897 . 10 1 1 A 80 80 PHE N N 80 119.200 124.169 -4.969 1
1 898 . 10 1 1 A 81 81 LYS H H 81 9.350 8.300 1.050 1
1 899 . 10 1 1 A 81 81 LYS HA H 81 4.800 5.049 -0.249 1
1 908 . 10 1 1 A 81 81 LYS C C 81 174.500 174.796 -0.296 1
1 909 . 10 1 1 A 81 81 LYS CA C 81 55.600 54.617 0.983 1
1 910 . 10 1 1 A 81 81 LYS CB C 81 35.200 35.350 -0.150 1
1 914 . 10 1 1 A 81 81 LYS N N 81 124.500 122.498 2.002 1
1 915 . 10 1 1 A 82 82 PHE H H 82 8.840 8.761 0.079 1
1 916 . 10 1 1 A 82 82 PHE HA H 82 4.550 4.483 0.067 1
1 924 . 10 1 1 A 82 82 PHE C C 82 173.200 175.305 -2.105 1
1 925 . 10 1 1 A 82 82 PHE CA C 82 57.800 56.863 0.937 1
1 926 . 10 1 1 A 82 82 PHE CB C 82 40.100 40.086 0.014 1
1 932 . 10 1 1 A 82 82 PHE N N 82 127.900 124.198 3.702 1
1 933 . 10 1 1 A 83 83 GLU H H 83 7.590 8.791 -1.201 1
1 934 . 10 1 1 A 83 83 GLU HA H 83 4.120 4.631 -0.511 1
1 939 . 10 1 1 A 83 83 GLU C C 83 177.500 175.699 1.801 1
1 940 . 10 1 1 A 83 83 GLU CA C 83 58.900 57.790 1.110 1
1 941 . 10 1 1 A 83 83 GLU CB C 83 29.900 32.929 -3.029 1
1 943 . 10 1 1 A 83 83 GLU N N 83 119.400 122.503 -3.103 1
1 944 . 10 1 1 A 84 84 VAL H H 84 7.470 7.614 -0.144 1
1 945 . 10 1 1 A 84 84 VAL HA H 84 4.770 4.539 0.231 1
1 953 . 10 1 1 A 84 84 VAL C C 84 177.100 176.046 1.054 1
1 954 . 10 1 1 A 84 84 VAL CA C 84 58.500 58.943 -0.443 1
1 955 . 10 1 1 A 84 84 VAL CB C 84 36.000 35.249 0.751 1
1 958 . 10 1 1 A 84 84 VAL N N 84 108.000 115.218 -7.218 1
1 959 . 10 1 1 A 85 85 SER H H 85 8.980 9.019 -0.039 1
1 960 . 10 1 1 A 85 85 SER HA H 85 4.160 4.146 0.014 1
1 963 . 10 1 1 A 85 85 SER C C 85 176.900 176.564 0.336 1
1 964 . 10 1 1 A 85 85 SER CA C 85 61.200 61.522 -0.322 1
1 965 . 10 1 1 A 85 85 SER CB C 85 62.600 62.592 0.008 1
1 966 . 10 1 1 A 85 85 SER N N 85 120.300 119.489 0.811 1
1 967 . 10 1 1 A 86 86 ALA H H 86 8.370 8.252 0.118 1
1 968 . 10 1 1 A 86 86 ALA HA H 86 4.000 4.084 -0.084 1
1 972 . 10 1 1 A 86 86 ALA C C 86 180.500 180.177 0.323 1
1 973 . 10 1 1 A 86 86 ALA CA C 86 55.600 55.491 0.109 1
1 974 . 10 1 1 A 86 86 ALA CB C 86 18.500 18.736 -0.236 1
1 975 . 10 1 1 A 86 86 ALA N N 86 121.800 122.605 -0.805 1
1 976 . 10 1 1 A 87 87 GLU H H 87 6.920 8.134 -1.214 1
1 977 . 10 1 1 A 87 87 GLU HA H 87 3.640 3.924 -0.284 1
1 982 . 10 1 1 A 87 87 GLU C C 87 176.700 178.920 -2.220 1
1 983 . 10 1 1 A 87 87 GLU CA C 87 58.000 59.360 -1.360 1
1 984 . 10 1 1 A 87 87 GLU CB C 87 29.300 28.907 0.393 1
1 986 . 10 1 1 A 87 87 GLU N N 87 114.800 117.688 -2.888 1
1 987 . 10 1 1 A 88 88 LYS H H 88 6.520 8.107 -1.587 1
1 988 . 10 1 1 A 88 88 LYS HA H 88 3.140 3.930 -0.790 1
1 997 . 10 1 1 A 88 88 LYS C C 88 178.100 178.853 -0.753 1
1 998 . 10 1 1 A 88 88 LYS CA C 88 59.700 59.109 0.591 1
1 999 . 10 1 1 A 88 88 LYS CB C 88 32.300 32.264 0.036 1
1 1003 . 10 1 1 A 88 88 LYS N N 88 119.900 121.282 -1.382 1
1 1004 . 10 1 1 A 89 89 LEU H H 89 7.920 7.857 0.063 1
1 1005 . 10 1 1 A 89 89 LEU HA H 89 4.080 4.059 0.021 1
1 1015 . 10 1 1 A 89 89 LEU C C 89 179.900 179.390 0.510 1
1 1016 . 10 1 1 A 89 89 LEU CA C 89 58.000 57.977 0.023 1
1 1017 . 10 1 1 A 89 89 LEU CB C 89 41.500 41.850 -0.350 1
1 1021 . 10 1 1 A 89 89 LEU N N 89 118.200 119.737 -1.537 1
1 1022 . 10 1 1 A 90 90 ILE H H 90 7.570 7.725 -0.155 1
1 1023 . 10 1 1 A 90 90 ILE HA H 90 3.710 3.650 0.060 1
1 1033 . 10 1 1 A 90 90 ILE C C 90 178.000 178.345 -0.345 1
1 1034 . 10 1 1 A 90 90 ILE CA C 90 64.700 64.975 -0.275 1
1 1035 . 10 1 1 A 90 90 ILE CB C 90 37.600 37.663 -0.063 1
1 1039 . 10 1 1 A 90 90 ILE N N 90 120.400 119.155 1.245 1
1 1040 . 10 1 1 A 91 91 PHE H H 91 8.180 8.748 -0.568 1
1 1041 . 10 1 1 A 91 91 PHE HA H 91 3.920 3.876 0.044 1
1 1049 . 10 1 1 A 91 91 PHE C C 91 177.200 177.666 -0.466 1
1 1050 . 10 1 1 A 91 91 PHE CA C 91 61.600 61.850 -0.250 1
1 1051 . 10 1 1 A 91 91 PHE CB C 91 39.600 39.066 0.534 1
1 1057 . 10 1 1 A 91 91 PHE N N 91 120.100 120.273 -0.173 1
1 1058 . 10 1 1 A 92 92 GLU H H 92 8.470 8.606 -0.136 1
1 1059 . 10 1 1 A 92 92 GLU HA H 92 3.620 4.128 -0.508 1
1 1064 . 10 1 1 A 92 92 GLU C C 92 179.100 178.601 0.499 1
1 1065 . 10 1 1 A 92 92 GLU CA C 92 60.100 58.835 1.265 1
1 1066 . 10 1 1 A 92 92 GLU CB C 92 29.300 29.414 -0.114 1
1 1068 . 10 1 1 A 92 92 GLU N N 92 118.800 119.456 -0.656 1
1 1069 . 10 1 1 A 93 93 LEU H H 93 7.980 8.215 -0.235 1
1 1070 . 10 1 1 A 93 93 LEU HA H 93 4.000 3.978 0.022 1
1 1080 . 10 1 1 A 93 93 LEU C C 93 180.600 178.469 2.131 1
1 1081 . 10 1 1 A 93 93 LEU CA C 93 58.300 57.988 0.312 1
1 1082 . 10 1 1 A 93 93 LEU CB C 93 41.700 41.706 -0.006 1
1 1086 . 10 1 1 A 93 93 LEU N N 93 120.800 121.182 -0.382 1
1 1087 . 10 1 1 A 94 94 LYS H H 94 8.340 7.902 0.438 1
1 1088 . 10 1 1 A 94 94 LYS HA H 94 3.990 3.857 0.133 1
1 1097 . 10 1 1 A 94 94 LYS C C 94 179.600 179.303 0.297 1
1 1098 . 10 1 1 A 94 94 LYS CA C 94 59.200 59.258 -0.058 1
1 1099 . 10 1 1 A 94 94 LYS CB C 94 33.100 32.131 0.969 1
1 1103 . 10 1 1 A 94 94 LYS N N 94 119.300 118.688 0.612 1
1 1104 . 10 1 1 A 95 95 THR H H 95 8.100 7.487 0.613 1
1 1105 . 10 1 1 A 95 95 THR HA H 95 3.640 3.594 0.046 1
1 1110 . 10 1 1 A 95 95 THR C C 95 176.800 176.911 -0.111 1
1 1111 . 10 1 1 A 95 95 THR CA C 95 63.800 65.438 -1.638 1
1 1112 . 10 1 1 A 95 95 THR CB C 95 68.900 67.660 1.240 1
1 1114 . 10 1 1 A 95 95 THR N N 95 109.700 112.429 -2.729 1
1 1115 . 10 1 1 A 96 96 ARG H H 96 7.570 8.105 -0.535 1
1 1116 . 10 1 1 A 96 96 ARG HA H 96 4.060 4.001 0.059 1
1 1124 . 10 1 1 A 96 96 ARG C C 96 178.300 178.868 -0.568 1
1 1125 . 10 1 1 A 96 96 ARG CA C 96 59.500 59.864 -0.364 1
1 1126 . 10 1 1 A 96 96 ARG CB C 96 29.800 29.769 0.031 1
1 1130 . 10 1 1 A 96 96 ARG N N 96 123.200 121.772 1.428 1
1 1132 . 10 1 1 A 97 97 ALA H H 97 7.520 7.809 -0.289 1
1 1133 . 10 1 1 A 97 97 ALA HA H 97 4.130 4.028 0.102 1
1 1137 . 10 1 1 A 97 97 ALA C C 97 179.500 179.897 -0.397 1
1 1138 . 10 1 1 A 97 97 ALA CA C 97 54.100 54.948 -0.848 1
1 1139 . 10 1 1 A 97 97 ALA CB C 97 18.200 18.075 0.125 1
1 1140 . 10 1 1 A 97 97 ALA N N 97 119.700 121.600 -1.900 1
1 1141 . 10 1 1 A 98 98 LEU H H 98 7.370 7.869 -0.499 1
1 1142 . 10 1 1 A 98 98 LEU HA H 98 4.070 3.852 0.218 1
1 1152 . 10 1 1 A 98 98 LEU C C 98 178.800 178.859 -0.059 1
1 1153 . 10 1 1 A 98 98 LEU CA C 98 56.500 57.794 -1.294 1
1 1154 . 10 1 1 A 98 98 LEU CB C 98 41.700 41.505 0.195 1
1 1158 . 10 1 1 A 98 98 LEU N N 98 118.300 118.883 -0.583 1
1 1159 . 10 1 1 A 99 99 ALA H H 99 7.940 8.076 -0.136 1
1 1160 . 10 1 1 A 99 99 ALA HA H 99 4.250 4.068 0.182 1
1 1164 . 10 1 1 A 99 99 ALA C C 99 179.100 179.342 -0.242 1
1 1165 . 10 1 1 A 99 99 ALA CA C 99 53.600 55.252 -1.652 1
1 1166 . 10 1 1 A 99 99 ALA CB C 99 18.600 18.008 0.592 1
1 1167 . 10 1 1 A 99 99 ALA N N 99 122.100 121.977 0.123 1
1 1168 . 10 1 1 A 100 100 ARG H H 100 7.840 8.583 -0.743 1
1 1169 . 10 1 1 A 100 100 ARG HA H 100 4.210 4.230 -0.020 1
1 1176 . 10 1 1 A 100 100 ARG C C 100 177.100 176.816 0.284 1
1 1177 . 10 1 1 A 100 100 ARG CA C 100 57.100 58.632 -1.532 1
1 1178 . 10 1 1 A 100 100 ARG CB C 100 30.300 30.117 0.183 1
1 1181 . 10 1 1 A 100 100 ARG N N 100 117.900 116.947 0.953 1
1 1182 . 10 1 1 A 101 101 LEU H H 101 7.890 8.600 -0.710 1
1 1183 . 10 1 1 A 101 101 LEU HA H 101 4.240 4.493 -0.253 1
1 1193 . 10 1 1 A 101 101 LEU C C 101 177.800 176.562 1.238 1
1 1194 . 10 1 1 A 101 101 LEU CA C 101 55.700 53.642 2.058 1
1 1195 . 10 1 1 A 101 101 LEU CB C 101 41.900 42.792 -0.892 1
1 1199 . 10 1 1 A 101 101 LEU N N 101 120.800 120.817 -0.017 1
1 1200 . 10 1 1 A 102 102 GLU H H 102 8.040 8.994 -0.954 1
1 1201 . 10 1 1 A 102 102 GLU HA H 102 4.240 4.303 -0.063 1
1 1206 . 10 1 1 A 102 102 GLU C C 102 176.500 176.200 0.300 1
1 1207 . 10 1 1 A 102 102 GLU CA C 102 56.600 57.944 -1.344 1
1 1208 . 10 1 1 A 102 102 GLU CB C 102 30.000 30.979 -0.979 1
1 1210 . 10 1 1 A 102 102 GLU N N 102 120.100 124.788 -4.688 1
1 1211 . 10 1 1 A 103 103 HIS H H 103 8.200 7.196 1.004 1
1 1212 . 10 1 1 A 103 103 HIS HA H 103 4.540 5.023 -0.483 1
1 1216 . 10 1 1 A 103 103 HIS CA C 103 56.100 54.536 1.564 1
1 1217 . 10 1 1 A 103 103 HIS CB C 103 29.900 31.629 -1.729 1
1 1218 . 10 1 1 A 103 103 HIS N N 103 119.200 114.744 4.456 1
1 1219 . 10 1 1 A 107 107 HIS HA H 107 4.560 4.535 0.025 1
1 1222 . 10 1 1 A 107 107 HIS C C 107 173.800 175.033 -1.233 1
1 1223 . 10 1 1 A 107 107 HIS CA C 107 55.800 57.318 -1.518 1
1 1224 . 10 1 1 A 107 107 HIS CB C 107 29.900 30.555 -0.655 1
1 1 . 11 1 1 A 4 4 GLN HA H 4 4.360 4.511 -0.151 1
1 7 . 11 1 1 A 4 4 GLN C C 4 176.100 175.355 0.745 1
1 8 . 11 1 1 A 4 4 GLN CA C 4 56.000 54.975 1.025 1
1 9 . 11 1 1 A 4 4 GLN CB C 4 29.300 28.382 0.918 1
1 11 . 11 1 1 A 5 5 THR H H 5 8.280 8.024 0.256 1
1 12 . 11 1 1 A 5 5 THR HA H 5 4.320 4.273 0.047 1
1 17 . 11 1 1 A 5 5 THR C C 5 174.300 173.092 1.208 1
1 18 . 11 1 1 A 5 5 THR CA C 5 62.200 63.530 -1.330 1
1 19 . 11 1 1 A 5 5 THR CB C 5 69.600 68.605 0.995 1
1 21 . 11 1 1 A 5 5 THR N N 5 115.700 114.122 1.578 1
1 22 . 11 1 1 A 6 6 CYS H H 6 8.410 8.258 0.152 1
1 23 . 11 1 1 A 6 6 CYS HA H 6 4.540 4.692 -0.152 1
1 26 . 11 1 1 A 6 6 CYS C C 6 174.400 174.900 -0.500 1
1 27 . 11 1 1 A 6 6 CYS CA C 6 58.200 57.248 0.952 1
1 28 . 11 1 1 A 6 6 CYS CB C 6 27.800 29.844 -2.044 1
1 29 . 11 1 1 A 6 6 CYS N N 6 121.900 118.859 3.041 1
1 30 . 11 1 1 A 7 7 VAL H H 7 8.290 8.543 -0.253 1
1 31 . 11 1 1 A 7 7 VAL HA H 7 4.090 3.959 0.131 1
1 39 . 11 1 1 A 7 7 VAL C C 7 176.100 176.325 -0.225 1
1 40 . 11 1 1 A 7 7 VAL CA C 7 62.400 65.930 -3.530 1
1 41 . 11 1 1 A 7 7 VAL CB C 7 32.500 31.979 0.521 1
1 44 . 11 1 1 A 7 7 VAL N N 7 122.700 120.539 2.161 1
1 45 . 11 1 1 A 8 8 GLU H H 8 8.510 7.754 0.756 1
1 46 . 11 1 1 A 8 8 GLU HA H 8 4.240 4.546 -0.306 1
1 51 . 11 1 1 A 8 8 GLU C C 8 176.100 176.099 0.001 1
1 52 . 11 1 1 A 8 8 GLU CA C 8 56.900 56.493 0.407 1
1 53 . 11 1 1 A 8 8 GLU CB C 8 30.100 30.317 -0.217 1
1 55 . 11 1 1 A 8 8 GLU N N 8 124.300 121.636 2.664 1
1 56 . 11 1 1 A 9 9 ASN H H 9 8.390 8.935 -0.545 1
1 57 . 11 1 1 A 9 9 ASN HA H 9 4.650 4.929 -0.279 1
1 62 . 11 1 1 A 9 9 ASN C C 9 174.900 174.778 0.122 1
1 63 . 11 1 1 A 9 9 ASN CA C 9 53.400 54.766 -1.366 1
1 64 . 11 1 1 A 9 9 ASN CB C 9 39.000 41.144 -2.144 1
1 66 . 11 1 1 A 9 9 ASN N N 9 119.300 124.094 -4.794 1
1 68 . 11 1 1 A 10 10 GLU H H 10 8.330 7.822 0.508 1
1 69 . 11 1 1 A 10 10 GLU HA H 10 4.250 4.430 -0.180 1
1 74 . 11 1 1 A 10 10 GLU C C 10 176.400 176.161 0.239 1
1 75 . 11 1 1 A 10 10 GLU CA C 10 56.800 56.904 -0.104 1
1 76 . 11 1 1 A 10 10 GLU CB C 10 30.200 30.395 -0.195 1
1 78 . 11 1 1 A 10 10 GLU N N 10 121.400 119.361 2.039 1
1 79 . 11 1 1 A 11 11 VAL H H 11 8.250 8.466 -0.216 1
1 80 . 11 1 1 A 11 11 VAL HA H 11 4.090 4.217 -0.127 1
1 88 . 11 1 1 A 11 11 VAL C C 11 176.100 175.858 0.242 1
1 89 . 11 1 1 A 11 11 VAL CA C 11 62.400 62.712 -0.312 1
1 90 . 11 1 1 A 11 11 VAL CB C 11 32.500 32.210 0.290 1
1 93 . 11 1 1 A 11 11 VAL N N 11 121.900 122.270 -0.370 1
1 94 . 11 1 1 A 12 12 CYS H H 12 8.450 8.918 -0.468 1
1 95 . 11 1 1 A 12 12 CYS HA H 12 4.500 5.180 -0.680 1
1 98 . 11 1 1 A 12 12 CYS C C 12 174.400 173.967 0.433 1
1 99 . 11 1 1 A 12 12 CYS CA C 12 58.300 57.521 0.779 1
1 100 . 11 1 1 A 12 12 CYS CB C 12 28.000 29.557 -1.557 1
1 101 . 11 1 1 A 12 12 CYS N N 12 123.800 125.807 -2.007 1
1 102 . 11 1 1 A 13 13 GLU H H 13 8.560 8.606 -0.046 1
1 103 . 11 1 1 A 13 13 GLU HA H 13 4.260 4.654 -0.394 1
1 108 . 11 1 1 A 13 13 GLU C C 13 176.100 174.926 1.174 1
1 109 . 11 1 1 A 13 13 GLU CA C 13 56.700 56.508 0.192 1
1 110 . 11 1 1 A 13 13 GLU CB C 13 30.200 30.023 0.177 1
1 112 . 11 1 1 A 13 13 GLU N N 13 124.100 124.257 -0.157 1
1 113 . 11 1 1 A 14 14 ALA H H 14 8.400 8.466 -0.066 1
1 114 . 11 1 1 A 14 14 ALA HA H 14 4.350 4.579 -0.229 1
1 118 . 11 1 1 A 14 14 ALA C C 14 177.700 177.104 0.596 1
1 119 . 11 1 1 A 14 14 ALA CA C 14 52.600 51.824 0.776 1
1 120 . 11 1 1 A 14 14 ALA CB C 14 19.100 19.448 -0.348 1
1 121 . 11 1 1 A 14 14 ALA N N 14 125.400 128.787 -3.387 1
1 122 . 11 1 1 A 15 15 CYS H H 15 8.370 8.889 -0.519 1
1 123 . 11 1 1 A 15 15 CYS HA H 15 4.490 3.923 0.567 1
1 126 . 11 1 1 A 15 15 CYS C C 15 175.100 174.573 0.527 1
1 127 . 11 1 1 A 15 15 CYS CA C 15 58.400 60.252 -1.852 1
1 128 . 11 1 1 A 15 15 CYS CB C 15 28.000 26.193 1.807 1
1 129 . 11 1 1 A 15 15 CYS N N 15 118.500 120.468 -1.968 1
1 130 . 11 1 1 A 16 16 GLY H H 16 8.480 8.063 0.417 1
1 131 . 11 1 1 A 16 16 GLY HA2 H 16 3.970 3.939 0.031 1
1 132 . 11 1 1 A 16 16 GLY HA3 H 16 3.970 3.942 0.028 1
1 133 . 11 1 1 A 16 16 GLY C C 16 174.100 173.291 0.809 1
1 134 . 11 1 1 A 16 16 GLY CA C 16 45.400 45.321 0.079 1
1 135 . 11 1 1 A 16 16 GLY N N 16 111.300 107.793 3.507 1
1 136 . 11 1 1 A 17 17 CYS H H 17 8.300 8.527 -0.227 1
1 137 . 11 1 1 A 17 17 CYS HA H 17 4.500 4.872 -0.372 1
1 140 . 11 1 1 A 17 17 CYS C C 17 174.500 174.845 -0.345 1
1 141 . 11 1 1 A 17 17 CYS CA C 17 58.300 57.749 0.551 1
1 142 . 11 1 1 A 17 17 CYS CB C 17 28.100 28.909 -0.809 1
1 143 . 11 1 1 A 17 17 CYS N N 17 118.900 118.916 -0.016 1
1 144 . 11 1 1 A 18 18 ALA H H 18 8.520 8.674 -0.154 1
1 145 . 11 1 1 A 18 18 ALA HA H 18 4.260 4.272 -0.012 1
1 149 . 11 1 1 A 18 18 ALA C C 18 178.000 177.728 0.272 1
1 150 . 11 1 1 A 18 18 ALA CA C 18 52.900 54.951 -2.051 1
1 151 . 11 1 1 A 18 18 ALA CB C 18 19.000 19.016 -0.016 1
1 152 . 11 1 1 A 18 18 ALA N N 18 126.800 124.911 1.889 1
1 153 . 11 1 1 A 19 19 GLY H H 19 8.310 7.941 0.369 1
1 154 . 11 1 1 A 19 19 GLY HA2 H 19 3.890 3.988 -0.098 1
1 155 . 11 1 1 A 19 19 GLY HA3 H 19 3.890 3.994 -0.104 1
1 156 . 11 1 1 A 19 19 GLY C C 19 174.000 172.625 1.375 1
1 157 . 11 1 1 A 19 19 GLY CA C 19 45.000 44.900 0.100 1
1 158 . 11 1 1 A 19 19 GLY N N 19 108.100 106.507 1.593 1
1 159 . 11 1 1 A 20 20 GLU H H 20 8.180 8.531 -0.351 1
1 160 . 11 1 1 A 20 20 GLU HA H 20 4.270 4.306 -0.036 1
1 165 . 11 1 1 A 20 20 GLU C C 20 176.400 177.752 -1.352 1
1 166 . 11 1 1 A 20 20 GLU CA C 20 56.200 56.690 -0.490 1
1 167 . 11 1 1 A 20 20 GLU CB C 20 30.100 30.890 -0.790 1
1 169 . 11 1 1 A 20 20 GLU N N 20 120.500 122.112 -1.612 1
1 170 . 11 1 1 A 21 21 ILE H H 21 8.160 8.345 -0.185 1
1 171 . 11 1 1 A 21 21 ILE HA H 21 4.020 4.357 -0.337 1
1 181 . 11 1 1 A 21 21 ILE C C 21 176.400 175.938 0.462 1
1 182 . 11 1 1 A 21 21 ILE CA C 21 61.200 60.722 0.478 1
1 183 . 11 1 1 A 21 21 ILE CB C 21 38.200 37.535 0.665 1
1 187 . 11 1 1 A 21 21 ILE N N 21 122.000 123.436 -1.436 1
1 188 . 11 1 1 A 22 22 GLY H H 22 8.260 7.786 0.474 1
1 189 . 11 1 1 A 22 22 GLY HA2 H 22 3.740 3.920 -0.180 1
1 190 . 11 1 1 A 22 22 GLY HA3 H 22 3.880 3.940 -0.060 1
1 191 . 11 1 1 A 22 22 GLY C C 22 173.200 174.031 -0.831 1
1 192 . 11 1 1 A 22 22 GLY CA C 22 45.100 45.658 -0.558 1
1 193 . 11 1 1 A 22 22 GLY N N 22 112.500 111.903 0.597 1
1 194 . 11 1 1 A 23 23 PHE H H 23 7.890 8.391 -0.501 1
1 195 . 11 1 1 A 23 23 PHE HA H 23 4.550 4.670 -0.120 1
1 202 . 11 1 1 A 23 23 PHE CA C 23 58.100 58.120 -0.020 1
1 203 . 11 1 1 A 23 23 PHE CB C 23 41.200 39.693 1.507 1
1 206 . 11 1 1 A 23 23 PHE N N 23 119.700 122.663 -2.963 1
1 207 . 11 1 1 A 24 24 ILE HA H 24 3.970 3.890 0.080 1
1 217 . 11 1 1 A 24 24 ILE CA C 24 62.400 65.365 -2.965 1
1 218 . 11 1 1 A 24 24 ILE CB C 24 37.700 37.753 -0.053 1
1 222 . 11 1 1 A 25 25 ILE H H 25 8.950 7.733 1.217 1
1 223 . 11 1 1 A 25 25 ILE HA H 25 3.740 4.038 -0.298 1
1 233 . 11 1 1 A 25 25 ILE C C 25 175.200 175.429 -0.229 1
1 234 . 11 1 1 A 25 25 ILE CA C 25 62.700 61.505 1.195 1
1 235 . 11 1 1 A 25 25 ILE CB C 25 38.200 38.189 0.011 1
1 239 . 11 1 1 A 25 25 ILE N N 25 124.800 120.808 3.992 1
1 240 . 11 1 1 A 26 26 ARG H H 26 8.040 8.643 -0.603 1
1 241 . 11 1 1 A 26 26 ARG HA H 26 4.140 4.579 -0.439 1
1 248 . 11 1 1 A 26 26 ARG C C 26 175.900 176.106 -0.206 1
1 249 . 11 1 1 A 26 26 ARG CA C 26 55.300 56.214 -0.914 1
1 250 . 11 1 1 A 26 26 ARG CB C 26 31.100 31.034 0.066 1
1 253 . 11 1 1 A 26 26 ARG N N 26 128.100 128.351 -0.251 1
1 254 . 11 1 1 A 27 27 GLU H H 27 8.560 8.517 0.043 1
1 255 . 11 1 1 A 27 27 GLU HA H 27 4.030 4.529 -0.499 1
1 260 . 11 1 1 A 27 27 GLU C C 27 176.300 176.506 -0.206 1
1 261 . 11 1 1 A 27 27 GLU CA C 27 57.000 56.146 0.854 1
1 262 . 11 1 1 A 27 27 GLU CB C 27 30.000 30.217 -0.217 1
1 264 . 11 1 1 A 27 27 GLU N N 27 123.500 123.565 -0.065 1
1 265 . 11 1 1 A 28 28 GLY H H 28 8.420 8.273 0.147 1
1 266 . 11 1 1 A 28 28 GLY HA2 H 28 4.050 4.192 -0.142 1
1 267 . 11 1 1 A 28 28 GLY HA3 H 28 4.220 4.196 0.024 1
1 268 . 11 1 1 A 28 28 GLY C C 28 174.000 173.779 0.221 1
1 269 . 11 1 1 A 28 28 GLY CA C 28 45.400 45.777 -0.377 1
1 270 . 11 1 1 A 28 28 GLY N N 28 108.300 108.318 -0.018 1
1 271 . 11 1 1 A 29 29 ASP H H 29 8.690 8.942 -0.252 1
1 272 . 11 1 1 A 29 29 ASP HA H 29 4.430 4.492 -0.062 1
1 275 . 11 1 1 A 29 29 ASP C C 29 175.200 176.691 -1.491 1
1 276 . 11 1 1 A 29 29 ASP CA C 29 56.300 56.280 0.020 1
1 277 . 11 1 1 A 29 29 ASP CB C 29 40.300 40.316 -0.016 1
1 278 . 11 1 1 A 29 29 ASP N N 29 119.800 119.821 -0.021 1
1 279 . 11 1 1 A 30 30 ASP H H 30 8.630 8.316 0.314 1
1 280 . 11 1 1 A 30 30 ASP HA H 30 4.260 4.661 -0.401 1
1 283 . 11 1 1 A 30 30 ASP C C 30 174.300 175.301 -1.001 1
1 284 . 11 1 1 A 30 30 ASP CA C 30 52.600 53.912 -1.312 1
1 285 . 11 1 1 A 30 30 ASP CB C 30 39.200 40.032 -0.832 1
1 286 . 11 1 1 A 30 30 ASP N N 30 114.900 115.395 -0.495 1
1 287 . 11 1 1 A 31 31 VAL H H 31 7.550 7.538 0.012 1
1 288 . 11 1 1 A 31 31 VAL HA H 31 5.300 4.703 0.597 1
1 296 . 11 1 1 A 31 31 VAL C C 31 175.800 174.600 1.200 1
1 297 . 11 1 1 A 31 31 VAL CA C 31 60.700 60.598 0.102 1
1 298 . 11 1 1 A 31 31 VAL CB C 31 35.000 35.050 -0.050 1
1 301 . 11 1 1 A 31 31 VAL N N 31 120.500 119.532 0.968 1
1 302 . 11 1 1 A 32 32 ALA H H 32 9.580 9.492 0.088 1
1 303 . 11 1 1 A 32 32 ALA HA H 32 5.030 5.348 -0.318 1
1 307 . 11 1 1 A 32 32 ALA C C 32 175.800 176.221 -0.421 1
1 308 . 11 1 1 A 32 32 ALA CA C 32 50.000 50.139 -0.139 1
1 309 . 11 1 1 A 32 32 ALA CB C 32 22.800 23.144 -0.344 1
1 310 . 11 1 1 A 32 32 ALA N N 32 130.500 129.164 1.336 1
1 311 . 11 1 1 A 33 33 GLU H H 33 9.270 8.736 0.534 1
1 312 . 11 1 1 A 33 33 GLU HA H 33 5.140 5.055 0.085 1
1 317 . 11 1 1 A 33 33 GLU C C 33 175.900 175.851 0.049 1
1 318 . 11 1 1 A 33 33 GLU CA C 33 55.300 55.666 -0.366 1
1 319 . 11 1 1 A 33 33 GLU CB C 33 31.500 31.413 0.087 1
1 321 . 11 1 1 A 33 33 GLU N N 33 124.500 119.372 5.128 1
1 322 . 11 1 1 A 34 34 VAL H H 34 9.140 9.242 -0.102 1
1 323 . 11 1 1 A 34 34 VAL HA H 34 4.580 4.982 -0.402 1
1 331 . 11 1 1 A 34 34 VAL C C 34 174.300 175.192 -0.892 1
1 332 . 11 1 1 A 34 34 VAL CA C 34 60.800 60.685 0.115 1
1 333 . 11 1 1 A 34 34 VAL CB C 34 35.700 34.758 0.942 1
1 336 . 11 1 1 A 34 34 VAL N N 34 124.700 123.734 0.966 1
1 337 . 11 1 1 A 35 35 SER H H 35 8.450 9.062 -0.612 1
1 338 . 11 1 1 A 35 35 SER HA H 35 5.060 5.613 -0.553 1
1 341 . 11 1 1 A 35 35 SER C C 35 172.100 172.381 -0.281 1
1 342 . 11 1 1 A 35 35 SER CA C 35 56.900 56.683 0.217 1
1 343 . 11 1 1 A 35 35 SER CB C 35 64.800 65.779 -0.979 1
1 344 . 11 1 1 A 35 35 SER N N 35 122.100 121.244 0.856 1
1 345 . 11 1 1 A 36 36 LEU H H 36 8.540 8.736 -0.196 1
1 346 . 11 1 1 A 36 36 LEU HA H 36 4.570 5.171 -0.601 1
1 356 . 11 1 1 A 36 36 LEU C C 36 174.200 174.972 -0.772 1
1 357 . 11 1 1 A 36 36 LEU CA C 36 52.600 52.834 -0.234 1
1 358 . 11 1 1 A 36 36 LEU CB C 36 45.600 46.166 -0.566 1
1 362 . 11 1 1 A 36 36 LEU N N 36 123.600 124.668 -1.068 1
1 363 . 11 1 1 A 37 37 PHE H H 37 8.400 8.529 -0.129 1
1 364 . 11 1 1 A 37 37 PHE HA H 37 5.300 5.748 -0.448 1
1 369 . 11 1 1 A 37 37 PHE C C 37 175.600 174.076 1.524 1
1 370 . 11 1 1 A 37 37 PHE CA C 37 56.300 55.612 0.688 1
1 371 . 11 1 1 A 37 37 PHE CB C 37 42.000 42.410 -0.410 1
1 374 . 11 1 1 A 37 37 PHE N N 37 118.300 120.379 -2.079 1
1 375 . 11 1 1 A 38 38 GLY H H 38 8.340 8.279 0.061 1
1 376 . 11 1 1 A 38 38 GLY HA2 H 38 3.750 4.205 -0.455 1
1 377 . 11 1 1 A 38 38 GLY HA3 H 38 4.210 4.251 -0.041 1
1 378 . 11 1 1 A 38 38 GLY CA C 38 45.600 45.663 -0.063 1
1 379 . 11 1 1 A 38 38 GLY N N 38 109.300 107.137 2.163 1
1 380 . 11 1 1 A 39 39 SER HA H 39 4.210 4.102 0.108 1
1 383 . 11 1 1 A 39 39 SER C C 39 173.700 173.634 0.066 1
1 384 . 11 1 1 A 39 39 SER CA C 39 60.100 60.514 -0.414 1
1 385 . 11 1 1 A 39 39 SER CB C 39 63.900 61.657 2.243 1
1 386 . 11 1 1 A 40 40 ASP H H 40 7.670 8.405 -0.735 1
1 387 . 11 1 1 A 40 40 ASP HA H 40 4.810 4.895 -0.085 1
1 390 . 11 1 1 A 40 40 ASP C C 40 175.500 176.338 -0.838 1
1 391 . 11 1 1 A 40 40 ASP CA C 40 52.900 52.309 0.591 1
1 392 . 11 1 1 A 40 40 ASP CB C 40 41.300 41.393 -0.093 1
1 393 . 11 1 1 A 40 40 ASP N N 40 115.800 122.197 -6.397 1
1 394 . 11 1 1 A 41 41 LYS H H 41 8.260 8.861 -0.601 1
1 395 . 11 1 1 A 41 41 LYS HA H 41 3.780 3.970 -0.190 1
1 404 . 11 1 1 A 41 41 LYS C C 41 177.100 178.234 -1.134 1
1 405 . 11 1 1 A 41 41 LYS CA C 41 60.500 59.409 1.091 1
1 406 . 11 1 1 A 41 41 LYS CB C 41 33.400 31.946 1.454 1
1 410 . 11 1 1 A 41 41 LYS N N 41 120.200 120.590 -0.390 1
1 411 . 11 1 1 A 42 42 ALA H H 42 8.420 8.019 0.401 1
1 412 . 11 1 1 A 42 42 ALA HA H 42 4.180 4.147 0.033 1
1 416 . 11 1 1 A 42 42 ALA C C 42 181.900 179.863 2.037 1
1 417 . 11 1 1 A 42 42 ALA CA C 42 55.400 55.083 0.317 1
1 418 . 11 1 1 A 42 42 ALA CB C 42 17.700 18.602 -0.902 1
1 419 . 11 1 1 A 42 42 ALA N N 42 120.700 121.750 -1.050 1
1 420 . 11 1 1 A 43 43 HIS H H 43 8.490 7.948 0.542 1
1 421 . 11 1 1 A 43 43 HIS HA H 43 4.330 4.258 0.072 1
1 424 . 11 1 1 A 43 43 HIS C C 43 178.800 177.006 1.794 1
1 425 . 11 1 1 A 43 43 HIS CA C 43 59.600 59.756 -0.156 1
1 426 . 11 1 1 A 43 43 HIS CB C 43 30.300 29.895 0.405 1
1 427 . 11 1 1 A 43 43 HIS N N 43 118.000 117.912 0.088 1
1 428 . 11 1 1 A 44 44 LEU H H 44 8.340 7.956 0.384 1
1 429 . 11 1 1 A 44 44 LEU HA H 44 3.750 3.613 0.137 1
1 439 . 11 1 1 A 44 44 LEU C C 44 178.500 179.052 -0.552 1
1 440 . 11 1 1 A 44 44 LEU CA C 44 58.200 57.804 0.396 1
1 441 . 11 1 1 A 44 44 LEU CB C 44 42.100 41.226 0.874 1
1 445 . 11 1 1 A 44 44 LEU N N 44 121.500 119.024 2.476 1
1 446 . 11 1 1 A 45 45 GLU H H 45 8.880 8.312 0.568 1
1 447 . 11 1 1 A 45 45 GLU HA H 45 3.750 3.998 -0.248 1
1 452 . 11 1 1 A 45 45 GLU C C 45 180.200 179.962 0.238 1
1 453 . 11 1 1 A 45 45 GLU CA C 45 60.000 59.412 0.588 1
1 454 . 11 1 1 A 45 45 GLU CB C 45 29.000 29.063 -0.063 1
1 456 . 11 1 1 A 45 45 GLU N N 45 118.300 118.293 0.007 1
1 457 . 11 1 1 A 46 46 GLY H H 46 7.970 7.930 0.040 1
1 458 . 11 1 1 A 46 46 GLY HA2 H 46 3.920 3.571 0.349 1
1 459 . 11 1 1 A 46 46 GLY HA3 H 46 3.920 3.675 0.245 1
1 460 . 11 1 1 A 46 46 GLY C C 46 176.500 175.747 0.753 1
1 461 . 11 1 1 A 46 46 GLY CA C 46 46.900 47.159 -0.259 1
1 462 . 11 1 1 A 46 46 GLY N N 46 108.100 109.368 -1.268 1
1 463 . 11 1 1 A 47 47 LYS H H 47 7.690 7.426 0.264 1
1 464 . 11 1 1 A 47 47 LYS HA H 47 4.320 4.091 0.229 1
1 473 . 11 1 1 A 47 47 LYS C C 47 179.400 179.061 0.339 1
1 474 . 11 1 1 A 47 47 LYS CA C 47 58.400 58.114 0.286 1
1 475 . 11 1 1 A 47 47 LYS CB C 47 32.100 32.245 -0.145 1
1 479 . 11 1 1 A 47 47 LYS N N 47 122.400 122.240 0.160 1
1 480 . 11 1 1 A 48 48 LEU H H 48 8.550 7.860 0.690 1
1 481 . 11 1 1 A 48 48 LEU HA H 48 3.980 3.826 0.154 1
1 491 . 11 1 1 A 48 48 LEU C C 48 178.300 178.293 0.007 1
1 492 . 11 1 1 A 48 48 LEU CA C 48 57.900 57.507 0.393 1
1 493 . 11 1 1 A 48 48 LEU CB C 48 40.800 41.383 -0.583 1
1 497 . 11 1 1 A 48 48 LEU N N 48 120.600 121.875 -1.275 1
1 498 . 11 1 1 A 49 49 ALA H H 49 7.810 8.094 -0.284 1
1 499 . 11 1 1 A 49 49 ALA HA H 49 4.000 3.983 0.017 1
1 503 . 11 1 1 A 49 49 ALA C C 49 180.400 180.101 0.299 1
1 504 . 11 1 1 A 49 49 ALA CA C 49 55.600 55.349 0.251 1
1 505 . 11 1 1 A 49 49 ALA CB C 49 17.900 18.253 -0.353 1
1 506 . 11 1 1 A 49 49 ALA N N 49 120.000 120.257 -0.257 1
1 507 . 11 1 1 A 50 50 GLU H H 50 7.520 7.943 -0.423 1
1 508 . 11 1 1 A 50 50 GLU HA H 50 4.130 4.118 0.012 1
1 513 . 11 1 1 A 50 50 GLU C C 50 179.600 179.389 0.211 1
1 514 . 11 1 1 A 50 50 GLU CA C 50 59.200 58.660 0.540 1
1 515 . 11 1 1 A 50 50 GLU CB C 50 29.800 29.619 0.181 1
1 517 . 11 1 1 A 50 50 GLU N N 50 117.300 119.092 -1.792 1
1 518 . 11 1 1 A 51 51 TYR H H 51 7.860 8.155 -0.295 1
1 519 . 11 1 1 A 51 51 TYR HA H 51 3.900 4.291 -0.391 1
1 526 . 11 1 1 A 51 51 TYR C C 51 177.900 178.435 -0.535 1
1 527 . 11 1 1 A 51 51 TYR CA C 51 62.400 60.903 1.497 1
1 528 . 11 1 1 A 51 51 TYR CB C 51 38.200 38.105 0.095 1
1 533 . 11 1 1 A 51 51 TYR N N 51 120.300 119.406 0.894 1
1 534 . 11 1 1 A 52 52 ILE H H 52 8.590 8.277 0.313 1
1 535 . 11 1 1 A 52 52 ILE HA H 52 3.420 3.658 -0.238 1
1 545 . 11 1 1 A 52 52 ILE C C 52 177.400 178.015 -0.615 1
1 546 . 11 1 1 A 52 52 ILE CA C 52 66.200 65.234 0.966 1
1 547 . 11 1 1 A 52 52 ILE CB C 52 38.200 38.020 0.180 1
1 551 . 11 1 1 A 52 52 ILE N N 52 120.100 120.745 -0.645 1
1 552 . 11 1 1 A 53 53 SER H H 53 7.860 7.900 -0.040 1
1 553 . 11 1 1 A 53 53 SER HA H 53 4.080 4.189 -0.109 1
1 556 . 11 1 1 A 53 53 SER C C 53 177.700 177.704 -0.004 1
1 557 . 11 1 1 A 53 53 SER CA C 53 61.800 61.594 0.206 1
1 558 . 11 1 1 A 53 53 SER CB C 53 62.600 62.877 -0.277 1
1 559 . 11 1 1 A 53 53 SER N N 53 113.100 116.143 -3.043 1
1 560 . 11 1 1 A 54 54 LEU H H 54 7.610 8.086 -0.476 1
1 561 . 11 1 1 A 54 54 LEU HA H 54 4.090 4.160 -0.070 1
1 571 . 11 1 1 A 54 54 LEU C C 54 178.600 179.188 -0.588 1
1 572 . 11 1 1 A 54 54 LEU CA C 54 58.000 57.488 0.512 1
1 573 . 11 1 1 A 54 54 LEU CB C 54 42.200 41.510 0.690 1
1 577 . 11 1 1 A 54 54 LEU N N 54 121.200 120.950 0.250 1
1 578 . 11 1 1 A 55 55 ALA H H 55 8.640 8.362 0.278 1
1 579 . 11 1 1 A 55 55 ALA HA H 55 3.860 4.108 -0.248 1
1 583 . 11 1 1 A 55 55 ALA C C 55 179.100 179.493 -0.393 1
1 584 . 11 1 1 A 55 55 ALA CA C 55 56.200 55.439 0.761 1
1 585 . 11 1 1 A 55 55 ALA CB C 55 19.000 18.041 0.959 1
1 586 . 11 1 1 A 55 55 ALA N N 55 121.900 122.076 -0.176 1
1 587 . 11 1 1 A 56 56 LYS H H 56 8.120 8.193 -0.073 1
1 588 . 11 1 1 A 56 56 LYS HA H 56 4.220 4.280 -0.060 1
1 597 . 11 1 1 A 56 56 LYS C C 56 178.800 179.725 -0.925 1
1 598 . 11 1 1 A 56 56 LYS CA C 56 58.300 59.616 -1.316 1
1 599 . 11 1 1 A 56 56 LYS CB C 56 32.900 32.205 0.695 1
1 603 . 11 1 1 A 56 56 LYS N N 56 115.600 117.903 -2.303 1
1 604 . 11 1 1 A 57 57 GLN H H 57 7.590 7.822 -0.232 1
1 605 . 11 1 1 A 57 57 GLN HA H 57 4.010 4.022 -0.012 1
1 612 . 11 1 1 A 57 57 GLN C C 57 178.300 178.821 -0.521 1
1 613 . 11 1 1 A 57 57 GLN CA C 57 58.400 59.197 -0.797 1
1 614 . 11 1 1 A 57 57 GLN CB C 57 28.600 28.130 0.470 1
1 617 . 11 1 1 A 57 57 GLN N N 57 117.900 118.975 -1.075 1
1 619 . 11 1 1 A 58 58 VAL H H 58 7.650 7.502 0.148 1
1 620 . 11 1 1 A 58 58 VAL HA H 58 3.750 3.852 -0.102 1
1 628 . 11 1 1 A 58 58 VAL C C 58 176.400 176.230 0.170 1
1 629 . 11 1 1 A 58 58 VAL CA C 58 65.500 65.891 -0.391 1
1 630 . 11 1 1 A 58 58 VAL CB C 58 32.000 32.241 -0.241 1
1 633 . 11 1 1 A 58 58 VAL N N 58 120.200 117.975 2.225 1
1 634 . 11 1 1 A 59 59 TYR H H 59 8.700 8.071 0.629 1
1 635 . 11 1 1 A 59 59 TYR HA H 59 5.040 4.907 0.133 1
1 642 . 11 1 1 A 59 59 TYR C C 59 174.100 173.672 0.428 1
1 643 . 11 1 1 A 59 59 TYR CA C 59 55.500 57.536 -2.036 1
1 644 . 11 1 1 A 59 59 TYR CB C 59 40.500 41.715 -1.215 1
1 649 . 11 1 1 A 59 59 TYR N N 59 120.400 119.579 0.821 1
1 650 . 11 1 1 A 60 60 ALA H H 60 8.900 8.178 0.722 1
1 651 . 11 1 1 A 60 60 ALA HA H 60 4.230 4.020 0.210 1
1 655 . 11 1 1 A 60 60 ALA CA C 60 55.400 52.250 3.150 1
1 656 . 11 1 1 A 60 60 ALA CB C 60 18.100 19.113 -1.013 1
1 657 . 11 1 1 A 60 60 ALA N N 60 131.000 129.605 1.395 1
1 658 . 11 1 1 A 61 61 ASN H H 61 5.430 8.976 -3.546 1
1 659 . 11 1 1 A 61 61 ASN HA H 61 4.760 4.268 0.492 1
1 664 . 11 1 1 A 61 61 ASN C C 61 173.200 175.071 -1.871 1
1 665 . 11 1 1 A 61 61 ASN CA C 61 51.800 53.918 -2.118 1
1 666 . 11 1 1 A 61 61 ASN CB C 61 37.600 37.257 0.343 1
1 668 . 11 1 1 A 61 61 ASN N N 61 111.100 118.492 -7.392 1
1 670 . 11 1 1 A 62 62 VAL H H 62 6.870 7.897 -1.027 1
1 671 . 11 1 1 A 62 62 VAL HA H 62 3.730 4.410 -0.680 1
1 679 . 11 1 1 A 62 62 VAL C C 62 172.400 174.832 -2.432 1
1 680 . 11 1 1 A 62 62 VAL CA C 62 62.500 62.428 0.072 1
1 681 . 11 1 1 A 62 62 VAL CB C 62 31.300 32.604 -1.304 1
1 684 . 11 1 1 A 62 62 VAL N N 62 120.400 119.553 0.847 1
1 685 . 11 1 1 A 63 63 GLU H H 63 7.360 8.520 -1.160 1
1 686 . 11 1 1 A 63 63 GLU HA H 63 4.590 4.970 -0.380 1
1 691 . 11 1 1 A 63 63 GLU C C 63 174.500 175.243 -0.743 1
1 692 . 11 1 1 A 63 63 GLU CA C 63 54.000 54.735 -0.735 1
1 693 . 11 1 1 A 63 63 GLU CB C 63 32.700 32.749 -0.049 1
1 695 . 11 1 1 A 63 63 GLU N N 63 126.500 127.151 -0.651 1
1 696 . 11 1 1 A 64 64 TYR H H 64 8.300 8.515 -0.215 1
1 697 . 11 1 1 A 64 64 TYR HA H 64 5.400 5.130 0.270 1
1 704 . 11 1 1 A 64 64 TYR C C 64 173.400 172.797 0.603 1
1 705 . 11 1 1 A 64 64 TYR CA C 64 54.800 55.572 -0.772 1
1 706 . 11 1 1 A 64 64 TYR CB C 64 41.800 40.735 1.065 1
1 711 . 11 1 1 A 64 64 TYR N N 64 118.800 118.571 0.229 1
1 712 . 11 1 1 A 65 65 GLU H H 65 8.470 8.604 -0.134 1
1 713 . 11 1 1 A 65 65 GLU HA H 65 4.440 4.818 -0.378 1
1 718 . 11 1 1 A 65 65 GLU C C 65 173.800 175.080 -1.280 1
1 719 . 11 1 1 A 65 65 GLU CA C 65 54.600 54.918 -0.318 1
1 720 . 11 1 1 A 65 65 GLU CB C 65 35.000 34.465 0.535 1
1 722 . 11 1 1 A 65 65 GLU N N 65 121.300 119.172 2.128 1
1 723 . 11 1 1 A 66 66 VAL H H 66 8.780 8.648 0.132 1
1 724 . 11 1 1 A 66 66 VAL HA H 66 4.600 4.679 -0.079 1
1 732 . 11 1 1 A 66 66 VAL C C 66 175.900 175.406 0.494 1
1 733 . 11 1 1 A 66 66 VAL CA C 66 60.800 60.551 0.249 1
1 734 . 11 1 1 A 66 66 VAL CB C 66 33.800 34.853 -1.053 1
1 737 . 11 1 1 A 66 66 VAL N N 66 126.000 122.108 3.892 1
1 738 . 11 1 1 A 67 67 ALA H H 67 8.400 8.453 -0.053 1
1 739 . 11 1 1 A 67 67 ALA HA H 67 4.390 4.569 -0.179 1
1 743 . 11 1 1 A 67 67 ALA CA C 67 51.100 50.838 0.262 1
1 744 . 11 1 1 A 67 67 ALA CB C 67 16.800 18.594 -1.794 1
1 745 . 11 1 1 A 67 67 ALA N N 67 132.400 130.378 2.022 1
1 746 . 11 1 1 A 68 68 PRO HA H 68 4.260 4.536 -0.276 1
1 753 . 11 1 1 A 68 68 PRO C C 68 176.400 176.008 0.392 1
1 754 . 11 1 1 A 68 68 PRO CA C 68 63.800 63.292 0.508 1
1 755 . 11 1 1 A 68 68 PRO CB C 68 31.800 32.029 -0.229 1
1 758 . 11 1 1 A 69 69 VAL H H 69 8.240 8.528 -0.288 1
1 759 . 11 1 1 A 69 69 VAL HA H 69 4.360 4.678 -0.318 1
1 767 . 11 1 1 A 69 69 VAL C C 69 175.500 174.963 0.537 1
1 768 . 11 1 1 A 69 69 VAL CA C 69 60.500 60.623 -0.123 1
1 769 . 11 1 1 A 69 69 VAL CB C 69 34.200 35.621 -1.421 1
1 772 . 11 1 1 A 69 69 VAL N N 69 121.600 124.001 -2.401 1
1 773 . 11 1 1 A 70 70 ALA H H 70 8.630 8.806 -0.176 1
1 774 . 11 1 1 A 70 70 ALA HA H 70 4.370 4.452 -0.082 1
1 778 . 11 1 1 A 70 70 ALA C C 70 178.100 177.618 0.482 1
1 779 . 11 1 1 A 70 70 ALA CA C 70 51.700 52.137 -0.437 1
1 780 . 11 1 1 A 70 70 ALA CB C 70 19.700 19.316 0.384 1
1 781 . 11 1 1 A 70 70 ALA N N 70 128.800 129.613 -0.813 1
1 782 . 11 1 1 A 71 71 ASP H H 71 8.640 8.930 -0.290 1
1 783 . 11 1 1 A 71 71 ASP HA H 71 4.330 4.286 0.044 1
1 786 . 11 1 1 A 71 71 ASP C C 71 177.000 177.242 -0.242 1
1 787 . 11 1 1 A 71 71 ASP CA C 71 57.300 57.286 0.014 1
1 788 . 11 1 1 A 71 71 ASP CB C 71 40.300 40.647 -0.347 1
1 789 . 11 1 1 A 71 71 ASP N N 71 118.900 122.080 -3.180 1
1 790 . 11 1 1 A 72 72 ASN H H 72 8.100 8.241 -0.141 1
1 791 . 11 1 1 A 72 72 ASN HA H 72 4.810 4.775 0.035 1
1 796 . 11 1 1 A 72 72 ASN C C 72 175.300 175.384 -0.084 1
1 797 . 11 1 1 A 72 72 ASN CA C 72 51.900 52.040 -0.140 1
1 798 . 11 1 1 A 72 72 ASN CB C 72 37.400 37.463 -0.063 1
1 800 . 11 1 1 A 72 72 ASN N N 72 114.800 111.860 2.940 1
1 802 . 11 1 1 A 73 73 ALA H H 73 7.580 7.271 0.309 1
1 803 . 11 1 1 A 73 73 ALA HA H 73 4.230 4.235 -0.005 1
1 807 . 11 1 1 A 73 73 ALA C C 73 176.300 177.316 -1.016 1
1 808 . 11 1 1 A 73 73 ALA CA C 73 53.200 52.652 0.548 1
1 809 . 11 1 1 A 73 73 ALA CB C 73 21.000 19.010 1.990 1
1 810 . 11 1 1 A 73 73 ALA N N 73 123.400 123.632 -0.232 1
1 811 . 11 1 1 A 74 74 THR H H 74 8.220 9.046 -0.826 1
1 812 . 11 1 1 A 74 74 THR HA H 74 4.560 4.781 -0.221 1
1 817 . 11 1 1 A 74 74 THR C C 74 174.100 174.632 -0.532 1
1 818 . 11 1 1 A 74 74 THR CA C 74 60.200 62.442 -2.242 1
1 819 . 11 1 1 A 74 74 THR CB C 74 69.900 69.324 0.576 1
1 821 . 11 1 1 A 74 74 THR N N 74 104.600 116.994 -12.394 1
1 822 . 11 1 1 A 75 75 GLU H H 75 7.310 7.681 -0.371 1
1 823 . 11 1 1 A 75 75 GLU HA H 75 5.190 5.074 0.116 1
1 828 . 11 1 1 A 75 75 GLU C C 75 173.600 173.845 -0.245 1
1 829 . 11 1 1 A 75 75 GLU CA C 75 54.100 55.148 -1.048 1
1 830 . 11 1 1 A 75 75 GLU CB C 75 34.100 33.366 0.734 1
1 832 . 11 1 1 A 75 75 GLU N N 75 119.100 122.397 -3.297 1
1 833 . 11 1 1 A 76 76 LEU H H 76 8.400 9.019 -0.619 1
1 834 . 11 1 1 A 76 76 LEU HA H 76 4.650 5.118 -0.468 1
1 844 . 11 1 1 A 76 76 LEU C C 76 174.100 174.306 -0.206 1
1 845 . 11 1 1 A 76 76 LEU CA C 76 54.200 53.612 0.588 1
1 846 . 11 1 1 A 76 76 LEU CB C 76 47.400 45.825 1.575 1
1 850 . 11 1 1 A 76 76 LEU N N 76 122.600 125.453 -2.853 1
1 851 . 11 1 1 A 77 77 HIS H H 77 9.340 8.963 0.377 1
1 852 . 11 1 1 A 77 77 HIS HA H 77 5.440 5.121 0.319 1
1 855 . 11 1 1 A 77 77 HIS C C 77 172.700 174.663 -1.963 1
1 856 . 11 1 1 A 77 77 HIS CA C 77 54.400 55.184 -0.784 1
1 857 . 11 1 1 A 77 77 HIS CB C 77 31.700 31.180 0.520 1
1 858 . 11 1 1 A 77 77 HIS N N 77 123.500 125.564 -2.064 1
1 859 . 11 1 1 A 78 78 ALA H H 78 9.190 8.916 0.274 1
1 860 . 11 1 1 A 78 78 ALA HA H 78 5.620 5.197 0.423 1
1 864 . 11 1 1 A 78 78 ALA C C 78 175.600 175.447 0.153 1
1 865 . 11 1 1 A 78 78 ALA CA C 78 50.300 51.263 -0.963 1
1 866 . 11 1 1 A 78 78 ALA CB C 78 24.100 24.205 -0.105 1
1 867 . 11 1 1 A 78 78 ALA N N 78 124.800 123.112 1.688 1
1 868 . 11 1 1 A 79 79 ARG H H 79 8.680 8.670 0.010 1
1 869 . 11 1 1 A 79 79 ARG HA H 79 5.230 5.291 -0.061 1
1 874 . 11 1 1 A 79 79 ARG C C 79 173.900 174.963 -1.063 1
1 875 . 11 1 1 A 79 79 ARG CA C 79 55.300 54.678 0.622 1
1 876 . 11 1 1 A 79 79 ARG CB C 79 34.400 34.117 0.283 1
1 879 . 11 1 1 A 79 79 ARG N N 79 119.100 119.469 -0.369 1
1 880 . 11 1 1 A 80 80 PHE H H 80 8.970 9.488 -0.518 1
1 881 . 11 1 1 A 80 80 PHE HA H 80 4.720 5.102 -0.382 1
1 889 . 11 1 1 A 80 80 PHE C C 80 172.700 174.406 -1.706 1
1 890 . 11 1 1 A 80 80 PHE CA C 80 56.300 56.184 0.116 1
1 891 . 11 1 1 A 80 80 PHE CB C 80 42.600 43.675 -1.075 1
1 897 . 11 1 1 A 80 80 PHE N N 80 119.200 121.751 -2.551 1
1 898 . 11 1 1 A 81 81 LYS H H 81 9.350 8.215 1.135 1
1 899 . 11 1 1 A 81 81 LYS HA H 81 4.800 5.127 -0.327 1
1 908 . 11 1 1 A 81 81 LYS C C 81 174.500 174.444 0.056 1
1 909 . 11 1 1 A 81 81 LYS CA C 81 55.600 54.211 1.389 1
1 910 . 11 1 1 A 81 81 LYS CB C 81 35.200 36.274 -1.074 1
1 914 . 11 1 1 A 81 81 LYS N N 81 124.500 118.178 6.322 1
1 915 . 11 1 1 A 82 82 PHE H H 82 8.840 8.673 0.167 1
1 916 . 11 1 1 A 82 82 PHE HA H 82 4.550 4.391 0.159 1
1 924 . 11 1 1 A 82 82 PHE C C 82 173.200 175.801 -2.601 1
1 925 . 11 1 1 A 82 82 PHE CA C 82 57.800 58.526 -0.726 1
1 926 . 11 1 1 A 82 82 PHE CB C 82 40.100 40.151 -0.051 1
1 932 . 11 1 1 A 82 82 PHE N N 82 127.900 118.781 9.119 1
1 933 . 11 1 1 A 83 83 GLU H H 83 7.590 8.028 -0.438 1
1 934 . 11 1 1 A 83 83 GLU HA H 83 4.120 4.446 -0.326 1
1 939 . 11 1 1 A 83 83 GLU C C 83 177.500 175.327 2.173 1
1 940 . 11 1 1 A 83 83 GLU CA C 83 58.900 56.684 2.216 1
1 941 . 11 1 1 A 83 83 GLU CB C 83 29.900 31.877 -1.977 1
1 943 . 11 1 1 A 83 83 GLU N N 83 119.400 113.906 5.494 1
1 944 . 11 1 1 A 84 84 VAL H H 84 7.470 7.551 -0.081 1
1 945 . 11 1 1 A 84 84 VAL HA H 84 4.770 4.658 0.112 1
1 953 . 11 1 1 A 84 84 VAL C C 84 177.100 175.589 1.511 1
1 954 . 11 1 1 A 84 84 VAL CA C 84 58.500 58.912 -0.412 1
1 955 . 11 1 1 A 84 84 VAL CB C 84 36.000 35.114 0.886 1
1 958 . 11 1 1 A 84 84 VAL N N 84 108.000 116.788 -8.788 1
1 959 . 11 1 1 A 85 85 SER H H 85 8.980 9.013 -0.033 1
1 960 . 11 1 1 A 85 85 SER HA H 85 4.160 4.341 -0.181 1
1 963 . 11 1 1 A 85 85 SER C C 85 176.900 176.515 0.385 1
1 964 . 11 1 1 A 85 85 SER CA C 85 61.200 60.778 0.422 1
1 965 . 11 1 1 A 85 85 SER CB C 85 62.600 63.239 -0.639 1
1 966 . 11 1 1 A 85 85 SER N N 85 120.300 119.898 0.402 1
1 967 . 11 1 1 A 86 86 ALA H H 86 8.370 8.061 0.309 1
1 968 . 11 1 1 A 86 86 ALA HA H 86 4.000 3.905 0.095 1
1 972 . 11 1 1 A 86 86 ALA C C 86 180.500 179.714 0.786 1
1 973 . 11 1 1 A 86 86 ALA CA C 86 55.600 55.369 0.231 1
1 974 . 11 1 1 A 86 86 ALA CB C 86 18.500 18.182 0.318 1
1 975 . 11 1 1 A 86 86 ALA N N 86 121.800 123.314 -1.514 1
1 976 . 11 1 1 A 87 87 GLU H H 87 6.920 7.978 -1.058 1
1 977 . 11 1 1 A 87 87 GLU HA H 87 3.640 3.879 -0.239 1
1 982 . 11 1 1 A 87 87 GLU C C 87 176.700 179.022 -2.322 1
1 983 . 11 1 1 A 87 87 GLU CA C 87 58.000 59.007 -1.007 1
1 984 . 11 1 1 A 87 87 GLU CB C 87 29.300 28.922 0.378 1
1 986 . 11 1 1 A 87 87 GLU N N 87 114.800 117.894 -3.094 1
1 987 . 11 1 1 A 88 88 LYS H H 88 6.520 7.696 -1.176 1
1 988 . 11 1 1 A 88 88 LYS HA H 88 3.140 3.967 -0.827 1
1 997 . 11 1 1 A 88 88 LYS C C 88 178.100 178.938 -0.838 1
1 998 . 11 1 1 A 88 88 LYS CA C 88 59.700 59.172 0.528 1
1 999 . 11 1 1 A 88 88 LYS CB C 88 32.300 32.179 0.121 1
1 1003 . 11 1 1 A 88 88 LYS N N 88 119.900 121.440 -1.540 1
1 1004 . 11 1 1 A 89 89 LEU H H 89 7.920 7.720 0.200 1
1 1005 . 11 1 1 A 89 89 LEU HA H 89 4.080 4.046 0.034 1
1 1015 . 11 1 1 A 89 89 LEU C C 89 179.900 179.345 0.555 1
1 1016 . 11 1 1 A 89 89 LEU CA C 89 58.000 57.974 0.026 1
1 1017 . 11 1 1 A 89 89 LEU CB C 89 41.500 41.829 -0.329 1
1 1021 . 11 1 1 A 89 89 LEU N N 89 118.200 118.995 -0.795 1
1 1022 . 11 1 1 A 90 90 ILE H H 90 7.570 7.660 -0.090 1
1 1023 . 11 1 1 A 90 90 ILE HA H 90 3.710 3.586 0.124 1
1 1033 . 11 1 1 A 90 90 ILE C C 90 178.000 178.307 -0.307 1
1 1034 . 11 1 1 A 90 90 ILE CA C 90 64.700 64.957 -0.257 1
1 1035 . 11 1 1 A 90 90 ILE CB C 90 37.600 37.645 -0.045 1
1 1039 . 11 1 1 A 90 90 ILE N N 90 120.400 119.280 1.120 1
1 1040 . 11 1 1 A 91 91 PHE H H 91 8.180 8.889 -0.709 1
1 1041 . 11 1 1 A 91 91 PHE HA H 91 3.920 3.891 0.029 1
1 1049 . 11 1 1 A 91 91 PHE C C 91 177.200 177.473 -0.273 1
1 1050 . 11 1 1 A 91 91 PHE CA C 91 61.600 61.341 0.259 1
1 1051 . 11 1 1 A 91 91 PHE CB C 91 39.600 39.284 0.316 1
1 1057 . 11 1 1 A 91 91 PHE N N 91 120.100 119.970 0.130 1
1 1058 . 11 1 1 A 92 92 GLU H H 92 8.470 8.521 -0.051 1
1 1059 . 11 1 1 A 92 92 GLU HA H 92 3.620 4.011 -0.391 1
1 1064 . 11 1 1 A 92 92 GLU C C 92 179.100 178.418 0.682 1
1 1065 . 11 1 1 A 92 92 GLU CA C 92 60.100 59.193 0.907 1
1 1066 . 11 1 1 A 92 92 GLU CB C 92 29.300 29.366 -0.066 1
1 1068 . 11 1 1 A 92 92 GLU N N 92 118.800 119.502 -0.702 1
1 1069 . 11 1 1 A 93 93 LEU H H 93 7.980 7.924 0.056 1
1 1070 . 11 1 1 A 93 93 LEU HA H 93 4.000 3.959 0.041 1
1 1080 . 11 1 1 A 93 93 LEU C C 93 180.600 178.391 2.209 1
1 1081 . 11 1 1 A 93 93 LEU CA C 93 58.300 58.051 0.249 1
1 1082 . 11 1 1 A 93 93 LEU CB C 93 41.700 41.725 -0.025 1
1 1086 . 11 1 1 A 93 93 LEU N N 93 120.800 121.071 -0.271 1
1 1087 . 11 1 1 A 94 94 LYS H H 94 8.340 7.757 0.583 1
1 1088 . 11 1 1 A 94 94 LYS HA H 94 3.990 3.816 0.174 1
1 1097 . 11 1 1 A 94 94 LYS C C 94 179.600 179.020 0.580 1
1 1098 . 11 1 1 A 94 94 LYS CA C 94 59.200 59.207 -0.007 1
1 1099 . 11 1 1 A 94 94 LYS CB C 94 33.100 32.024 1.076 1
1 1103 . 11 1 1 A 94 94 LYS N N 94 119.300 118.566 0.734 1
1 1104 . 11 1 1 A 95 95 THR H H 95 8.100 7.673 0.427 1
1 1105 . 11 1 1 A 95 95 THR HA H 95 3.640 3.167 0.473 1
1 1110 . 11 1 1 A 95 95 THR C C 95 176.800 176.396 0.404 1
1 1111 . 11 1 1 A 95 95 THR CA C 95 63.800 65.262 -1.462 1
1 1112 . 11 1 1 A 95 95 THR CB C 95 68.900 67.661 1.239 1
1 1114 . 11 1 1 A 95 95 THR N N 95 109.700 112.067 -2.367 1
1 1115 . 11 1 1 A 96 96 ARG H H 96 7.570 8.015 -0.445 1
1 1116 . 11 1 1 A 96 96 ARG HA H 96 4.060 3.967 0.093 1
1 1124 . 11 1 1 A 96 96 ARG C C 96 178.300 177.918 0.382 1
1 1125 . 11 1 1 A 96 96 ARG CA C 96 59.500 59.528 -0.028 1
1 1126 . 11 1 1 A 96 96 ARG CB C 96 29.800 29.744 0.056 1
1 1130 . 11 1 1 A 96 96 ARG N N 96 123.200 122.254 0.946 1
1 1132 . 11 1 1 A 97 97 ALA H H 97 7.520 8.153 -0.633 1
1 1133 . 11 1 1 A 97 97 ALA HA H 97 4.130 4.057 0.073 1
1 1137 . 11 1 1 A 97 97 ALA C C 97 179.500 179.973 -0.473 1
1 1138 . 11 1 1 A 97 97 ALA CA C 97 54.100 54.938 -0.838 1
1 1139 . 11 1 1 A 97 97 ALA CB C 97 18.200 17.992 0.208 1
1 1140 . 11 1 1 A 97 97 ALA N N 97 119.700 122.193 -2.493 1
1 1141 . 11 1 1 A 98 98 LEU H H 98 7.370 7.977 -0.607 1
1 1142 . 11 1 1 A 98 98 LEU HA H 98 4.070 3.996 0.074 1
1 1152 . 11 1 1 A 98 98 LEU C C 98 178.800 178.383 0.417 1
1 1153 . 11 1 1 A 98 98 LEU CA C 98 56.500 57.781 -1.281 1
1 1154 . 11 1 1 A 98 98 LEU CB C 98 41.700 41.229 0.471 1
1 1158 . 11 1 1 A 98 98 LEU N N 98 118.300 120.382 -2.082 1
1 1159 . 11 1 1 A 99 99 ALA H H 99 7.940 8.317 -0.377 1
1 1160 . 11 1 1 A 99 99 ALA HA H 99 4.250 3.896 0.354 1
1 1164 . 11 1 1 A 99 99 ALA C C 99 179.100 179.586 -0.486 1
1 1165 . 11 1 1 A 99 99 ALA CA C 99 53.600 55.121 -1.521 1
1 1166 . 11 1 1 A 99 99 ALA CB C 99 18.600 18.154 0.446 1
1 1167 . 11 1 1 A 99 99 ALA N N 99 122.100 120.688 1.412 1
1 1168 . 11 1 1 A 100 100 ARG H H 100 7.840 7.703 0.137 1
1 1169 . 11 1 1 A 100 100 ARG HA H 100 4.210 4.157 0.053 1
1 1176 . 11 1 1 A 100 100 ARG C C 100 177.100 176.640 0.460 1
1 1177 . 11 1 1 A 100 100 ARG CA C 100 57.100 58.923 -1.823 1
1 1178 . 11 1 1 A 100 100 ARG CB C 100 30.300 30.228 0.072 1
1 1181 . 11 1 1 A 100 100 ARG N N 100 117.900 116.605 1.295 1
1 1182 . 11 1 1 A 101 101 LEU H H 101 7.890 7.322 0.568 1
1 1183 . 11 1 1 A 101 101 LEU HA H 101 4.240 4.736 -0.496 1
1 1193 . 11 1 1 A 101 101 LEU C C 101 177.800 175.953 1.847 1
1 1194 . 11 1 1 A 101 101 LEU CA C 101 55.700 53.542 2.158 1
1 1195 . 11 1 1 A 101 101 LEU CB C 101 41.900 43.317 -1.417 1
1 1199 . 11 1 1 A 101 101 LEU N N 101 120.800 116.865 3.935 1
1 1200 . 11 1 1 A 102 102 GLU H H 102 8.040 8.819 -0.779 1
1 1201 . 11 1 1 A 102 102 GLU HA H 102 4.240 4.861 -0.621 1
1 1206 . 11 1 1 A 102 102 GLU C C 102 176.500 177.203 -0.703 1
1 1207 . 11 1 1 A 102 102 GLU CA C 102 56.600 55.586 1.014 1
1 1208 . 11 1 1 A 102 102 GLU CB C 102 30.000 30.819 -0.819 1
1 1210 . 11 1 1 A 102 102 GLU N N 102 120.100 121.051 -0.951 1
1 1211 . 11 1 1 A 103 103 HIS H H 103 8.200 8.443 -0.243 1
1 1212 . 11 1 1 A 103 103 HIS HA H 103 4.540 4.411 0.129 1
1 1216 . 11 1 1 A 103 103 HIS CA C 103 56.100 59.135 -3.035 1
1 1217 . 11 1 1 A 103 103 HIS CB C 103 29.900 29.738 0.162 1
1 1218 . 11 1 1 A 103 103 HIS N N 103 119.200 123.628 -4.428 1
1 1219 . 11 1 1 A 107 107 HIS HA H 107 4.560 4.066 0.494 1
1 1222 . 11 1 1 A 107 107 HIS C C 107 173.800 177.093 -3.293 1
1 1223 . 11 1 1 A 107 107 HIS CA C 107 55.800 59.659 -3.859 1
1 1224 . 11 1 1 A 107 107 HIS CB C 107 29.900 30.058 -0.158 1
1 1 . 12 1 1 A 4 4 GLN HA H 4 4.360 4.110 0.250 1
1 7 . 12 1 1 A 4 4 GLN C C 4 176.100 175.262 0.838 1
1 8 . 12 1 1 A 4 4 GLN CA C 4 56.000 57.925 -1.925 1
1 9 . 12 1 1 A 4 4 GLN CB C 4 29.300 27.391 1.909 1
1 11 . 12 1 1 A 5 5 THR H H 5 8.280 8.550 -0.270 1
1 12 . 12 1 1 A 5 5 THR HA H 5 4.320 4.085 0.235 1
1 17 . 12 1 1 A 5 5 THR C C 5 174.300 174.480 -0.180 1
1 18 . 12 1 1 A 5 5 THR CA C 5 62.200 64.317 -2.117 1
1 19 . 12 1 1 A 5 5 THR CB C 5 69.600 67.527 2.073 1
1 21 . 12 1 1 A 5 5 THR N N 5 115.700 112.863 2.837 1
1 22 . 12 1 1 A 6 6 CYS H H 6 8.410 8.844 -0.434 1
1 23 . 12 1 1 A 6 6 CYS HA H 6 4.540 4.415 0.125 1
1 26 . 12 1 1 A 6 6 CYS C C 6 174.400 174.754 -0.354 1
1 27 . 12 1 1 A 6 6 CYS CA C 6 58.200 62.277 -4.077 1
1 28 . 12 1 1 A 6 6 CYS CB C 6 27.800 27.744 0.056 1
1 29 . 12 1 1 A 6 6 CYS N N 6 121.900 126.097 -4.197 1
1 30 . 12 1 1 A 7 7 VAL H H 7 8.290 7.446 0.844 1
1 31 . 12 1 1 A 7 7 VAL HA H 7 4.090 4.308 -0.218 1
1 39 . 12 1 1 A 7 7 VAL C C 7 176.100 175.367 0.733 1
1 40 . 12 1 1 A 7 7 VAL CA C 7 62.400 61.826 0.574 1
1 41 . 12 1 1 A 7 7 VAL CB C 7 32.500 32.939 -0.439 1
1 44 . 12 1 1 A 7 7 VAL N N 7 122.700 119.233 3.467 1
1 45 . 12 1 1 A 8 8 GLU H H 8 8.510 8.838 -0.328 1
1 46 . 12 1 1 A 8 8 GLU HA H 8 4.240 4.504 -0.264 1
1 51 . 12 1 1 A 8 8 GLU C C 8 176.100 177.272 -1.172 1
1 52 . 12 1 1 A 8 8 GLU CA C 8 56.900 57.870 -0.970 1
1 53 . 12 1 1 A 8 8 GLU CB C 8 30.100 32.212 -2.112 1
1 55 . 12 1 1 A 8 8 GLU N N 8 124.300 126.442 -2.142 1
1 56 . 12 1 1 A 9 9 ASN H H 9 8.390 8.332 0.058 1
1 57 . 12 1 1 A 9 9 ASN HA H 9 4.650 4.715 -0.065 1
1 62 . 12 1 1 A 9 9 ASN C C 9 174.900 175.579 -0.679 1
1 63 . 12 1 1 A 9 9 ASN CA C 9 53.400 54.860 -1.460 1
1 64 . 12 1 1 A 9 9 ASN CB C 9 39.000 38.860 0.140 1
1 66 . 12 1 1 A 9 9 ASN N N 9 119.300 117.992 1.308 1
1 68 . 12 1 1 A 10 10 GLU H H 10 8.330 7.834 0.496 1
1 69 . 12 1 1 A 10 10 GLU HA H 10 4.250 4.562 -0.312 1
1 74 . 12 1 1 A 10 10 GLU C C 10 176.400 175.901 0.499 1
1 75 . 12 1 1 A 10 10 GLU CA C 10 56.800 55.706 1.094 1
1 76 . 12 1 1 A 10 10 GLU CB C 10 30.200 30.538 -0.338 1
1 78 . 12 1 1 A 10 10 GLU N N 10 121.400 119.075 2.325 1
1 79 . 12 1 1 A 11 11 VAL H H 11 8.250 8.692 -0.442 1
1 80 . 12 1 1 A 11 11 VAL HA H 11 4.090 4.618 -0.528 1
1 88 . 12 1 1 A 11 11 VAL C C 11 176.100 176.033 0.067 1
1 89 . 12 1 1 A 11 11 VAL CA C 11 62.400 60.946 1.454 1
1 90 . 12 1 1 A 11 11 VAL CB C 11 32.500 34.128 -1.628 1
1 93 . 12 1 1 A 11 11 VAL N N 11 121.900 122.364 -0.464 1
1 94 . 12 1 1 A 12 12 CYS H H 12 8.450 8.925 -0.475 1
1 95 . 12 1 1 A 12 12 CYS HA H 12 4.500 4.186 0.314 1
1 98 . 12 1 1 A 12 12 CYS C C 12 174.400 174.666 -0.266 1
1 99 . 12 1 1 A 12 12 CYS CA C 12 58.300 62.389 -4.089 1
1 100 . 12 1 1 A 12 12 CYS CB C 12 28.000 27.719 0.281 1
1 101 . 12 1 1 A 12 12 CYS N N 12 123.800 124.712 -0.912 1
1 102 . 12 1 1 A 13 13 GLU H H 13 8.560 7.985 0.575 1
1 103 . 12 1 1 A 13 13 GLU HA H 13 4.260 3.921 0.339 1
1 108 . 12 1 1 A 13 13 GLU C C 13 176.100 175.666 0.434 1
1 109 . 12 1 1 A 13 13 GLU CA C 13 56.700 57.323 -0.623 1
1 110 . 12 1 1 A 13 13 GLU CB C 13 30.200 28.185 2.015 1
1 112 . 12 1 1 A 13 13 GLU N N 13 124.100 119.576 4.524 1
1 113 . 12 1 1 A 14 14 ALA H H 14 8.400 7.551 0.849 1
1 114 . 12 1 1 A 14 14 ALA HA H 14 4.350 4.248 0.102 1
1 118 . 12 1 1 A 14 14 ALA C C 14 177.700 177.384 0.316 1
1 119 . 12 1 1 A 14 14 ALA CA C 14 52.600 52.783 -0.183 1
1 120 . 12 1 1 A 14 14 ALA CB C 14 19.100 19.395 -0.295 1
1 121 . 12 1 1 A 14 14 ALA N N 14 125.400 120.425 4.975 1
1 122 . 12 1 1 A 15 15 CYS H H 15 8.370 8.757 -0.387 1
1 123 . 12 1 1 A 15 15 CYS HA H 15 4.490 4.898 -0.408 1
1 126 . 12 1 1 A 15 15 CYS C C 15 175.100 174.927 0.173 1
1 127 . 12 1 1 A 15 15 CYS CA C 15 58.400 57.975 0.425 1
1 128 . 12 1 1 A 15 15 CYS CB C 15 28.000 29.265 -1.265 1
1 129 . 12 1 1 A 15 15 CYS N N 15 118.500 120.890 -2.390 1
1 130 . 12 1 1 A 16 16 GLY H H 16 8.480 8.696 -0.216 1
1 131 . 12 1 1 A 16 16 GLY HA2 H 16 3.970 3.866 0.104 1
1 132 . 12 1 1 A 16 16 GLY HA3 H 16 3.970 3.866 0.104 1
1 133 . 12 1 1 A 16 16 GLY C C 16 174.100 175.375 -1.275 1
1 134 . 12 1 1 A 16 16 GLY CA C 16 45.400 47.111 -1.711 1
1 135 . 12 1 1 A 16 16 GLY N N 16 111.300 111.895 -0.595 1
1 136 . 12 1 1 A 17 17 CYS H H 17 8.300 8.024 0.276 1
1 137 . 12 1 1 A 17 17 CYS HA H 17 4.500 4.185 0.315 1
1 140 . 12 1 1 A 17 17 CYS C C 17 174.500 174.456 0.044 1
1 141 . 12 1 1 A 17 17 CYS CA C 17 58.300 62.841 -4.541 1
1 142 . 12 1 1 A 17 17 CYS CB C 17 28.100 27.776 0.324 1
1 143 . 12 1 1 A 17 17 CYS N N 17 118.900 120.139 -1.239 1
1 144 . 12 1 1 A 18 18 ALA H H 18 8.520 7.907 0.613 1
1 145 . 12 1 1 A 18 18 ALA HA H 18 4.260 4.090 0.170 1
1 149 . 12 1 1 A 18 18 ALA C C 18 178.000 177.643 0.357 1
1 150 . 12 1 1 A 18 18 ALA CA C 18 52.900 53.556 -0.656 1
1 151 . 12 1 1 A 18 18 ALA CB C 18 19.000 18.086 0.914 1
1 152 . 12 1 1 A 18 18 ALA N N 18 126.800 121.534 5.266 1
1 153 . 12 1 1 A 19 19 GLY H H 19 8.310 8.208 0.102 1
1 154 . 12 1 1 A 19 19 GLY HA2 H 19 3.890 3.941 -0.051 1
1 155 . 12 1 1 A 19 19 GLY HA3 H 19 3.890 3.942 -0.052 1
1 156 . 12 1 1 A 19 19 GLY C C 19 174.000 174.441 -0.441 1
1 157 . 12 1 1 A 19 19 GLY CA C 19 45.000 45.350 -0.350 1
1 158 . 12 1 1 A 19 19 GLY N N 19 108.100 106.362 1.738 1
1 159 . 12 1 1 A 20 20 GLU H H 20 8.180 7.587 0.593 1
1 160 . 12 1 1 A 20 20 GLU HA H 20 4.270 4.262 0.008 1
1 165 . 12 1 1 A 20 20 GLU C C 20 176.400 175.690 0.710 1
1 166 . 12 1 1 A 20 20 GLU CA C 20 56.200 56.579 -0.379 1
1 167 . 12 1 1 A 20 20 GLU CB C 20 30.100 29.449 0.651 1
1 169 . 12 1 1 A 20 20 GLU N N 20 120.500 118.431 2.069 1
1 170 . 12 1 1 A 21 21 ILE H H 21 8.160 8.797 -0.637 1
1 171 . 12 1 1 A 21 21 ILE HA H 21 4.020 4.599 -0.579 1
1 181 . 12 1 1 A 21 21 ILE C C 21 176.400 174.848 1.552 1
1 182 . 12 1 1 A 21 21 ILE CA C 21 61.200 60.835 0.365 1
1 183 . 12 1 1 A 21 21 ILE CB C 21 38.200 39.382 -1.182 1
1 187 . 12 1 1 A 21 21 ILE N N 21 122.000 126.995 -4.995 1
1 188 . 12 1 1 A 22 22 GLY H H 22 8.260 8.291 -0.031 1
1 189 . 12 1 1 A 22 22 GLY HA2 H 22 3.740 4.122 -0.382 1
1 190 . 12 1 1 A 22 22 GLY HA3 H 22 3.880 4.144 -0.264 1
1 191 . 12 1 1 A 22 22 GLY C C 22 173.200 172.039 1.161 1
1 192 . 12 1 1 A 22 22 GLY CA C 22 45.100 45.856 -0.756 1
1 193 . 12 1 1 A 22 22 GLY N N 22 112.500 114.668 -2.168 1
1 194 . 12 1 1 A 23 23 PHE H H 23 7.890 9.158 -1.268 1
1 195 . 12 1 1 A 23 23 PHE HA H 23 4.550 5.194 -0.644 1
1 202 . 12 1 1 A 23 23 PHE CA C 23 58.100 56.286 1.814 1
1 203 . 12 1 1 A 23 23 PHE CB C 23 41.200 40.683 0.517 1
1 206 . 12 1 1 A 23 23 PHE N N 23 119.700 126.602 -6.902 1
1 207 . 12 1 1 A 24 24 ILE HA H 24 3.970 4.157 -0.187 1
1 217 . 12 1 1 A 24 24 ILE CA C 24 62.400 60.150 2.250 1
1 218 . 12 1 1 A 24 24 ILE CB C 24 37.700 38.903 -1.203 1
1 222 . 12 1 1 A 25 25 ILE H H 25 8.950 8.490 0.460 1
1 223 . 12 1 1 A 25 25 ILE HA H 25 3.740 3.743 -0.003 1
1 233 . 12 1 1 A 25 25 ILE C C 25 175.200 175.201 -0.001 1
1 234 . 12 1 1 A 25 25 ILE CA C 25 62.700 61.525 1.175 1
1 235 . 12 1 1 A 25 25 ILE CB C 25 38.200 36.899 1.301 1
1 239 . 12 1 1 A 25 25 ILE N N 25 124.800 119.755 5.045 1
1 240 . 12 1 1 A 26 26 ARG H H 26 8.040 8.373 -0.333 1
1 241 . 12 1 1 A 26 26 ARG HA H 26 4.140 4.570 -0.430 1
1 248 . 12 1 1 A 26 26 ARG C C 26 175.900 175.089 0.811 1
1 249 . 12 1 1 A 26 26 ARG CA C 26 55.300 55.523 -0.223 1
1 250 . 12 1 1 A 26 26 ARG CB C 26 31.100 31.391 -0.291 1
1 253 . 12 1 1 A 26 26 ARG N N 26 128.100 129.045 -0.945 1
1 254 . 12 1 1 A 27 27 GLU H H 27 8.560 8.415 0.145 1
1 255 . 12 1 1 A 27 27 GLU HA H 27 4.030 4.668 -0.638 1
1 260 . 12 1 1 A 27 27 GLU C C 27 176.300 175.488 0.812 1
1 261 . 12 1 1 A 27 27 GLU CA C 27 57.000 55.137 1.863 1
1 262 . 12 1 1 A 27 27 GLU CB C 27 30.000 30.116 -0.116 1
1 264 . 12 1 1 A 27 27 GLU N N 27 123.500 122.249 1.251 1
1 265 . 12 1 1 A 28 28 GLY H H 28 8.420 8.675 -0.255 1
1 266 . 12 1 1 A 28 28 GLY HA2 H 28 4.050 4.128 -0.078 1
1 267 . 12 1 1 A 28 28 GLY HA3 H 28 4.220 4.135 0.085 1
1 268 . 12 1 1 A 28 28 GLY C C 28 174.000 174.484 -0.484 1
1 269 . 12 1 1 A 28 28 GLY CA C 28 45.400 44.865 0.535 1
1 270 . 12 1 1 A 28 28 GLY N N 28 108.300 112.132 -3.832 1
1 271 . 12 1 1 A 29 29 ASP H H 29 8.690 8.899 -0.209 1
1 272 . 12 1 1 A 29 29 ASP HA H 29 4.430 4.426 0.004 1
1 275 . 12 1 1 A 29 29 ASP C C 29 175.200 176.302 -1.102 1
1 276 . 12 1 1 A 29 29 ASP CA C 29 56.300 54.923 1.377 1
1 277 . 12 1 1 A 29 29 ASP CB C 29 40.300 39.709 0.591 1
1 278 . 12 1 1 A 29 29 ASP N N 29 119.800 119.379 0.421 1
1 279 . 12 1 1 A 30 30 ASP H H 30 8.630 7.820 0.810 1
1 280 . 12 1 1 A 30 30 ASP HA H 30 4.260 4.763 -0.503 1
1 283 . 12 1 1 A 30 30 ASP C C 30 174.300 175.485 -1.185 1
1 284 . 12 1 1 A 30 30 ASP CA C 30 52.600 53.338 -0.738 1
1 285 . 12 1 1 A 30 30 ASP CB C 30 39.200 41.270 -2.070 1
1 286 . 12 1 1 A 30 30 ASP N N 30 114.900 118.846 -3.946 1
1 287 . 12 1 1 A 31 31 VAL H H 31 7.550 7.468 0.082 1
1 288 . 12 1 1 A 31 31 VAL HA H 31 5.300 4.916 0.384 1
1 296 . 12 1 1 A 31 31 VAL C C 31 175.800 173.388 2.412 1
1 297 . 12 1 1 A 31 31 VAL CA C 31 60.700 59.609 1.091 1
1 298 . 12 1 1 A 31 31 VAL CB C 31 35.000 35.873 -0.873 1
1 301 . 12 1 1 A 31 31 VAL N N 31 120.500 120.422 0.078 1
1 302 . 12 1 1 A 32 32 ALA H H 32 9.580 9.204 0.376 1
1 303 . 12 1 1 A 32 32 ALA HA H 32 5.030 5.338 -0.308 1
1 307 . 12 1 1 A 32 32 ALA C C 32 175.800 175.921 -0.121 1
1 308 . 12 1 1 A 32 32 ALA CA C 32 50.000 50.365 -0.365 1
1 309 . 12 1 1 A 32 32 ALA CB C 32 22.800 23.575 -0.775 1
1 310 . 12 1 1 A 32 32 ALA N N 32 130.500 128.269 2.231 1
1 311 . 12 1 1 A 33 33 GLU H H 33 9.270 8.611 0.659 1
1 312 . 12 1 1 A 33 33 GLU HA H 33 5.140 5.097 0.043 1
1 317 . 12 1 1 A 33 33 GLU C C 33 175.900 175.877 0.023 1
1 318 . 12 1 1 A 33 33 GLU CA C 33 55.300 55.911 -0.611 1
1 319 . 12 1 1 A 33 33 GLU CB C 33 31.500 32.081 -0.581 1
1 321 . 12 1 1 A 33 33 GLU N N 33 124.500 120.896 3.604 1
1 322 . 12 1 1 A 34 34 VAL H H 34 9.140 9.004 0.136 1
1 323 . 12 1 1 A 34 34 VAL HA H 34 4.580 4.957 -0.377 1
1 331 . 12 1 1 A 34 34 VAL C C 34 174.300 174.809 -0.509 1
1 332 . 12 1 1 A 34 34 VAL CA C 34 60.800 60.749 0.051 1
1 333 . 12 1 1 A 34 34 VAL CB C 34 35.700 34.930 0.770 1
1 336 . 12 1 1 A 34 34 VAL N N 34 124.700 122.875 1.825 1
1 337 . 12 1 1 A 35 35 SER H H 35 8.450 9.003 -0.553 1
1 338 . 12 1 1 A 35 35 SER HA H 35 5.060 5.127 -0.067 1
1 341 . 12 1 1 A 35 35 SER C C 35 172.100 172.511 -0.411 1
1 342 . 12 1 1 A 35 35 SER CA C 35 56.900 57.447 -0.547 1
1 343 . 12 1 1 A 35 35 SER CB C 35 64.800 64.563 0.237 1
1 344 . 12 1 1 A 35 35 SER N N 35 122.100 124.446 -2.346 1
1 345 . 12 1 1 A 36 36 LEU H H 36 8.540 8.395 0.145 1
1 346 . 12 1 1 A 36 36 LEU HA H 36 4.570 5.188 -0.618 1
1 356 . 12 1 1 A 36 36 LEU C C 36 174.200 174.128 0.072 1
1 357 . 12 1 1 A 36 36 LEU CA C 36 52.600 52.377 0.223 1
1 358 . 12 1 1 A 36 36 LEU CB C 36 45.600 45.526 0.074 1
1 362 . 12 1 1 A 36 36 LEU N N 36 123.600 128.379 -4.779 1
1 363 . 12 1 1 A 37 37 PHE H H 37 8.400 9.019 -0.619 1
1 364 . 12 1 1 A 37 37 PHE HA H 37 5.300 5.124 0.176 1
1 369 . 12 1 1 A 37 37 PHE C C 37 175.600 176.131 -0.531 1
1 370 . 12 1 1 A 37 37 PHE CA C 37 56.300 56.244 0.056 1
1 371 . 12 1 1 A 37 37 PHE CB C 37 42.000 41.844 0.156 1
1 374 . 12 1 1 A 37 37 PHE N N 37 118.300 126.181 -7.881 1
1 375 . 12 1 1 A 38 38 GLY H H 38 8.340 8.563 -0.223 1
1 376 . 12 1 1 A 38 38 GLY HA2 H 38 3.750 4.323 -0.573 1
1 377 . 12 1 1 A 38 38 GLY HA3 H 38 4.210 4.357 -0.147 1
1 378 . 12 1 1 A 38 38 GLY CA C 38 45.600 45.983 -0.383 1
1 379 . 12 1 1 A 38 38 GLY N N 38 109.300 109.689 -0.389 1
1 380 . 12 1 1 A 39 39 SER HA H 39 4.210 4.521 -0.311 1
1 383 . 12 1 1 A 39 39 SER C C 39 173.700 174.181 -0.481 1
1 384 . 12 1 1 A 39 39 SER CA C 39 60.100 58.956 1.144 1
1 385 . 12 1 1 A 39 39 SER CB C 39 63.900 63.358 0.542 1
1 386 . 12 1 1 A 40 40 ASP H H 40 7.670 7.982 -0.312 1
1 387 . 12 1 1 A 40 40 ASP HA H 40 4.810 4.928 -0.118 1
1 390 . 12 1 1 A 40 40 ASP C C 40 175.500 176.286 -0.786 1
1 391 . 12 1 1 A 40 40 ASP CA C 40 52.900 52.581 0.319 1
1 392 . 12 1 1 A 40 40 ASP CB C 40 41.300 41.332 -0.032 1
1 393 . 12 1 1 A 40 40 ASP N N 40 115.800 120.661 -4.861 1
1 394 . 12 1 1 A 41 41 LYS H H 41 8.260 8.731 -0.471 1
1 395 . 12 1 1 A 41 41 LYS HA H 41 3.780 3.953 -0.173 1
1 404 . 12 1 1 A 41 41 LYS C C 41 177.100 178.100 -1.000 1
1 405 . 12 1 1 A 41 41 LYS CA C 41 60.500 59.279 1.221 1
1 406 . 12 1 1 A 41 41 LYS CB C 41 33.400 31.947 1.453 1
1 410 . 12 1 1 A 41 41 LYS N N 41 120.200 120.944 -0.744 1
1 411 . 12 1 1 A 42 42 ALA H H 42 8.420 7.980 0.440 1
1 412 . 12 1 1 A 42 42 ALA HA H 42 4.180 4.185 -0.005 1
1 416 . 12 1 1 A 42 42 ALA C C 42 181.900 179.943 1.957 1
1 417 . 12 1 1 A 42 42 ALA CA C 42 55.400 55.023 0.377 1
1 418 . 12 1 1 A 42 42 ALA CB C 42 17.700 18.325 -0.625 1
1 419 . 12 1 1 A 42 42 ALA N N 42 120.700 122.032 -1.332 1
1 420 . 12 1 1 A 43 43 HIS H H 43 8.490 8.079 0.411 1
1 421 . 12 1 1 A 43 43 HIS HA H 43 4.330 4.375 -0.045 1
1 424 . 12 1 1 A 43 43 HIS C C 43 178.800 177.222 1.578 1
1 425 . 12 1 1 A 43 43 HIS CA C 43 59.600 59.832 -0.232 1
1 426 . 12 1 1 A 43 43 HIS CB C 43 30.300 30.488 -0.188 1
1 427 . 12 1 1 A 43 43 HIS N N 43 118.000 118.027 -0.027 1
1 428 . 12 1 1 A 44 44 LEU H H 44 8.340 8.251 0.089 1
1 429 . 12 1 1 A 44 44 LEU HA H 44 3.750 3.754 -0.004 1
1 439 . 12 1 1 A 44 44 LEU C C 44 178.500 179.131 -0.631 1
1 440 . 12 1 1 A 44 44 LEU CA C 44 58.200 57.906 0.294 1
1 441 . 12 1 1 A 44 44 LEU CB C 44 42.100 41.289 0.811 1
1 445 . 12 1 1 A 44 44 LEU N N 44 121.500 119.344 2.156 1
1 446 . 12 1 1 A 45 45 GLU H H 45 8.880 8.601 0.279 1
1 447 . 12 1 1 A 45 45 GLU HA H 45 3.750 4.043 -0.293 1
1 452 . 12 1 1 A 45 45 GLU C C 45 180.200 180.046 0.154 1
1 453 . 12 1 1 A 45 45 GLU CA C 45 60.000 59.434 0.566 1
1 454 . 12 1 1 A 45 45 GLU CB C 45 29.000 29.170 -0.170 1
1 456 . 12 1 1 A 45 45 GLU N N 45 118.300 118.339 -0.039 1
1 457 . 12 1 1 A 46 46 GLY H H 46 7.970 8.056 -0.086 1
1 458 . 12 1 1 A 46 46 GLY HA2 H 46 3.920 3.673 0.247 1
1 459 . 12 1 1 A 46 46 GLY HA3 H 46 3.920 3.719 0.201 1
1 460 . 12 1 1 A 46 46 GLY C C 46 176.500 175.845 0.655 1
1 461 . 12 1 1 A 46 46 GLY CA C 46 46.900 47.332 -0.432 1
1 462 . 12 1 1 A 46 46 GLY N N 46 108.100 109.336 -1.236 1
1 463 . 12 1 1 A 47 47 LYS H H 47 7.690 7.532 0.158 1
1 464 . 12 1 1 A 47 47 LYS HA H 47 4.320 4.178 0.142 1
1 473 . 12 1 1 A 47 47 LYS C C 47 179.400 179.289 0.111 1
1 474 . 12 1 1 A 47 47 LYS CA C 47 58.400 58.166 0.234 1
1 475 . 12 1 1 A 47 47 LYS CB C 47 32.100 32.371 -0.271 1
1 479 . 12 1 1 A 47 47 LYS N N 47 122.400 122.345 0.055 1
1 480 . 12 1 1 A 48 48 LEU H H 48 8.550 7.865 0.685 1
1 481 . 12 1 1 A 48 48 LEU HA H 48 3.980 4.077 -0.097 1
1 491 . 12 1 1 A 48 48 LEU C C 48 178.300 178.373 -0.073 1
1 492 . 12 1 1 A 48 48 LEU CA C 48 57.900 57.648 0.252 1
1 493 . 12 1 1 A 48 48 LEU CB C 48 40.800 41.481 -0.681 1
1 497 . 12 1 1 A 48 48 LEU N N 48 120.600 122.034 -1.434 1
1 498 . 12 1 1 A 49 49 ALA H H 49 7.810 8.046 -0.236 1
1 499 . 12 1 1 A 49 49 ALA HA H 49 4.000 3.975 0.025 1
1 503 . 12 1 1 A 49 49 ALA C C 49 180.400 180.089 0.311 1
1 504 . 12 1 1 A 49 49 ALA CA C 49 55.600 55.012 0.588 1
1 505 . 12 1 1 A 49 49 ALA CB C 49 17.900 18.433 -0.533 1
1 506 . 12 1 1 A 49 49 ALA N N 49 120.000 120.139 -0.139 1
1 507 . 12 1 1 A 50 50 GLU H H 50 7.520 7.888 -0.368 1
1 508 . 12 1 1 A 50 50 GLU HA H 50 4.130 4.041 0.089 1
1 513 . 12 1 1 A 50 50 GLU C C 50 179.600 179.125 0.475 1
1 514 . 12 1 1 A 50 50 GLU CA C 50 59.200 59.019 0.181 1
1 515 . 12 1 1 A 50 50 GLU CB C 50 29.800 29.363 0.437 1
1 517 . 12 1 1 A 50 50 GLU N N 50 117.300 118.650 -1.350 1
1 518 . 12 1 1 A 51 51 TYR H H 51 7.860 8.222 -0.362 1
1 519 . 12 1 1 A 51 51 TYR HA H 51 3.900 4.324 -0.424 1
1 526 . 12 1 1 A 51 51 TYR C C 51 177.900 178.531 -0.631 1
1 527 . 12 1 1 A 51 51 TYR CA C 51 62.400 61.005 1.395 1
1 528 . 12 1 1 A 51 51 TYR CB C 51 38.200 38.353 -0.153 1
1 533 . 12 1 1 A 51 51 TYR N N 51 120.300 119.654 0.646 1
1 534 . 12 1 1 A 52 52 ILE H H 52 8.590 8.055 0.535 1
1 535 . 12 1 1 A 52 52 ILE HA H 52 3.420 3.613 -0.193 1
1 545 . 12 1 1 A 52 52 ILE C C 52 177.400 178.128 -0.728 1
1 546 . 12 1 1 A 52 52 ILE CA C 52 66.200 65.232 0.968 1
1 547 . 12 1 1 A 52 52 ILE CB C 52 38.200 38.121 0.079 1
1 551 . 12 1 1 A 52 52 ILE N N 52 120.100 120.751 -0.651 1
1 552 . 12 1 1 A 53 53 SER H H 53 7.860 8.073 -0.213 1
1 553 . 12 1 1 A 53 53 SER HA H 53 4.080 4.178 -0.098 1
1 556 . 12 1 1 A 53 53 SER C C 53 177.700 177.569 0.131 1
1 557 . 12 1 1 A 53 53 SER CA C 53 61.800 61.662 0.138 1
1 558 . 12 1 1 A 53 53 SER CB C 53 62.600 63.149 -0.549 1
1 559 . 12 1 1 A 53 53 SER N N 53 113.100 115.952 -2.852 1
1 560 . 12 1 1 A 54 54 LEU H H 54 7.610 8.212 -0.602 1
1 561 . 12 1 1 A 54 54 LEU HA H 54 4.090 4.118 -0.028 1
1 571 . 12 1 1 A 54 54 LEU C C 54 178.600 179.095 -0.495 1
1 572 . 12 1 1 A 54 54 LEU CA C 54 58.000 57.874 0.126 1
1 573 . 12 1 1 A 54 54 LEU CB C 54 42.200 41.064 1.136 1
1 577 . 12 1 1 A 54 54 LEU N N 54 121.200 121.656 -0.456 1
1 578 . 12 1 1 A 55 55 ALA H H 55 8.640 8.892 -0.252 1
1 579 . 12 1 1 A 55 55 ALA HA H 55 3.860 4.019 -0.159 1
1 583 . 12 1 1 A 55 55 ALA C C 55 179.100 179.921 -0.821 1
1 584 . 12 1 1 A 55 55 ALA CA C 55 56.200 55.856 0.344 1
1 585 . 12 1 1 A 55 55 ALA CB C 55 19.000 18.619 0.381 1
1 586 . 12 1 1 A 55 55 ALA N N 55 121.900 121.981 -0.081 1
1 587 . 12 1 1 A 56 56 LYS H H 56 8.120 7.989 0.131 1
1 588 . 12 1 1 A 56 56 LYS HA H 56 4.220 4.298 -0.078 1
1 597 . 12 1 1 A 56 56 LYS C C 56 178.800 179.685 -0.885 1
1 598 . 12 1 1 A 56 56 LYS CA C 56 58.300 59.603 -1.303 1
1 599 . 12 1 1 A 56 56 LYS CB C 56 32.900 32.275 0.625 1
1 603 . 12 1 1 A 56 56 LYS N N 56 115.600 117.472 -1.872 1
1 604 . 12 1 1 A 57 57 GLN H H 57 7.590 7.638 -0.048 1
1 605 . 12 1 1 A 57 57 GLN HA H 57 4.010 4.058 -0.048 1
1 612 . 12 1 1 A 57 57 GLN C C 57 178.300 178.893 -0.593 1
1 613 . 12 1 1 A 57 57 GLN CA C 57 58.400 58.888 -0.488 1
1 614 . 12 1 1 A 57 57 GLN CB C 57 28.600 28.315 0.285 1
1 617 . 12 1 1 A 57 57 GLN N N 57 117.900 119.082 -1.182 1
1 619 . 12 1 1 A 58 58 VAL H H 58 7.650 8.369 -0.719 1
1 620 . 12 1 1 A 58 58 VAL HA H 58 3.750 3.769 -0.019 1
1 628 . 12 1 1 A 58 58 VAL C C 58 176.400 176.036 0.364 1
1 629 . 12 1 1 A 58 58 VAL CA C 58 65.500 65.955 -0.455 1
1 630 . 12 1 1 A 58 58 VAL CB C 58 32.000 32.289 -0.289 1
1 633 . 12 1 1 A 58 58 VAL N N 58 120.200 117.955 2.245 1
1 634 . 12 1 1 A 59 59 TYR H H 59 8.700 8.220 0.480 1
1 635 . 12 1 1 A 59 59 TYR HA H 59 5.040 4.923 0.117 1
1 642 . 12 1 1 A 59 59 TYR C C 59 174.100 174.230 -0.130 1
1 643 . 12 1 1 A 59 59 TYR CA C 59 55.500 56.164 -0.664 1
1 644 . 12 1 1 A 59 59 TYR CB C 59 40.500 41.727 -1.227 1
1 649 . 12 1 1 A 59 59 TYR N N 59 120.400 120.249 0.151 1
1 650 . 12 1 1 A 60 60 ALA H H 60 8.900 8.231 0.669 1
1 651 . 12 1 1 A 60 60 ALA HA H 60 4.230 4.137 0.093 1
1 655 . 12 1 1 A 60 60 ALA CA C 60 55.400 52.563 2.837 1
1 656 . 12 1 1 A 60 60 ALA CB C 60 18.100 19.043 -0.943 1
1 657 . 12 1 1 A 60 60 ALA N N 60 131.000 129.467 1.533 1
1 658 . 12 1 1 A 61 61 ASN H H 61 5.430 9.100 -3.670 1
1 659 . 12 1 1 A 61 61 ASN HA H 61 4.760 4.365 0.395 1
1 664 . 12 1 1 A 61 61 ASN C C 61 173.200 175.277 -2.077 1
1 665 . 12 1 1 A 61 61 ASN CA C 61 51.800 54.028 -2.228 1
1 666 . 12 1 1 A 61 61 ASN CB C 61 37.600 37.335 0.265 1
1 668 . 12 1 1 A 61 61 ASN N N 61 111.100 118.879 -7.779 1
1 670 . 12 1 1 A 62 62 VAL H H 62 6.870 7.991 -1.121 1
1 671 . 12 1 1 A 62 62 VAL HA H 62 3.730 4.253 -0.523 1
1 679 . 12 1 1 A 62 62 VAL C C 62 172.400 175.094 -2.694 1
1 680 . 12 1 1 A 62 62 VAL CA C 62 62.500 62.598 -0.098 1
1 681 . 12 1 1 A 62 62 VAL CB C 62 31.300 32.718 -1.418 1
1 684 . 12 1 1 A 62 62 VAL N N 62 120.400 119.624 0.776 1
1 685 . 12 1 1 A 63 63 GLU H H 63 7.360 8.390 -1.030 1
1 686 . 12 1 1 A 63 63 GLU HA H 63 4.590 4.948 -0.358 1
1 691 . 12 1 1 A 63 63 GLU C C 63 174.500 175.221 -0.721 1
1 692 . 12 1 1 A 63 63 GLU CA C 63 54.000 54.624 -0.624 1
1 693 . 12 1 1 A 63 63 GLU CB C 63 32.700 32.727 -0.027 1
1 695 . 12 1 1 A 63 63 GLU N N 63 126.500 127.074 -0.574 1
1 696 . 12 1 1 A 64 64 TYR H H 64 8.300 8.411 -0.111 1
1 697 . 12 1 1 A 64 64 TYR HA H 64 5.400 5.218 0.182 1
1 704 . 12 1 1 A 64 64 TYR C C 64 173.400 172.027 1.373 1
1 705 . 12 1 1 A 64 64 TYR CA C 64 54.800 55.514 -0.714 1
1 706 . 12 1 1 A 64 64 TYR CB C 64 41.800 41.254 0.546 1
1 711 . 12 1 1 A 64 64 TYR N N 64 118.800 119.075 -0.275 1
1 712 . 12 1 1 A 65 65 GLU H H 65 8.470 8.398 0.072 1
1 713 . 12 1 1 A 65 65 GLU HA H 65 4.440 4.739 -0.299 1
1 718 . 12 1 1 A 65 65 GLU C C 65 173.800 174.441 -0.641 1
1 719 . 12 1 1 A 65 65 GLU CA C 65 54.600 55.011 -0.411 1
1 720 . 12 1 1 A 65 65 GLU CB C 65 35.000 33.763 1.237 1
1 722 . 12 1 1 A 65 65 GLU N N 65 121.300 120.069 1.231 1
1 723 . 12 1 1 A 66 66 VAL H H 66 8.780 8.791 -0.011 1
1 724 . 12 1 1 A 66 66 VAL HA H 66 4.600 4.708 -0.108 1
1 732 . 12 1 1 A 66 66 VAL C C 66 175.900 175.436 0.464 1
1 733 . 12 1 1 A 66 66 VAL CA C 66 60.800 60.815 -0.015 1
1 734 . 12 1 1 A 66 66 VAL CB C 66 33.800 34.065 -0.265 1
1 737 . 12 1 1 A 66 66 VAL N N 66 126.000 126.030 -0.030 1
1 738 . 12 1 1 A 67 67 ALA H H 67 8.400 8.480 -0.080 1
1 739 . 12 1 1 A 67 67 ALA HA H 67 4.390 4.657 -0.267 1
1 743 . 12 1 1 A 67 67 ALA CA C 67 51.100 50.827 0.273 1
1 744 . 12 1 1 A 67 67 ALA CB C 67 16.800 18.404 -1.604 1
1 745 . 12 1 1 A 67 67 ALA N N 67 132.400 130.677 1.723 1
1 746 . 12 1 1 A 68 68 PRO HA H 68 4.260 4.510 -0.250 1
1 753 . 12 1 1 A 68 68 PRO C C 68 176.400 176.079 0.321 1
1 754 . 12 1 1 A 68 68 PRO CA C 68 63.800 63.348 0.452 1
1 755 . 12 1 1 A 68 68 PRO CB C 68 31.800 32.121 -0.321 1
1 758 . 12 1 1 A 69 69 VAL H H 69 8.240 8.477 -0.237 1
1 759 . 12 1 1 A 69 69 VAL HA H 69 4.360 4.632 -0.272 1
1 767 . 12 1 1 A 69 69 VAL C C 69 175.500 175.066 0.434 1
1 768 . 12 1 1 A 69 69 VAL CA C 69 60.500 60.616 -0.116 1
1 769 . 12 1 1 A 69 69 VAL CB C 69 34.200 35.547 -1.347 1
1 772 . 12 1 1 A 69 69 VAL N N 69 121.600 123.546 -1.946 1
1 773 . 12 1 1 A 70 70 ALA H H 70 8.630 8.785 -0.155 1
1 774 . 12 1 1 A 70 70 ALA HA H 70 4.370 4.443 -0.073 1
1 778 . 12 1 1 A 70 70 ALA C C 70 178.100 177.592 0.508 1
1 779 . 12 1 1 A 70 70 ALA CA C 70 51.700 52.202 -0.502 1
1 780 . 12 1 1 A 70 70 ALA CB C 70 19.700 19.307 0.393 1
1 781 . 12 1 1 A 70 70 ALA N N 70 128.800 129.734 -0.934 1
1 782 . 12 1 1 A 71 71 ASP H H 71 8.640 8.938 -0.298 1
1 783 . 12 1 1 A 71 71 ASP HA H 71 4.330 4.304 0.026 1
1 786 . 12 1 1 A 71 71 ASP C C 71 177.000 177.082 -0.082 1
1 787 . 12 1 1 A 71 71 ASP CA C 71 57.300 57.298 0.002 1
1 788 . 12 1 1 A 71 71 ASP CB C 71 40.300 40.575 -0.275 1
1 789 . 12 1 1 A 71 71 ASP N N 71 118.900 121.883 -2.983 1
1 790 . 12 1 1 A 72 72 ASN H H 72 8.100 8.221 -0.121 1
1 791 . 12 1 1 A 72 72 ASN HA H 72 4.810 4.766 0.044 1
1 796 . 12 1 1 A 72 72 ASN C C 72 175.300 175.386 -0.086 1
1 797 . 12 1 1 A 72 72 ASN CA C 72 51.900 52.016 -0.116 1
1 798 . 12 1 1 A 72 72 ASN CB C 72 37.400 37.461 -0.061 1
1 800 . 12 1 1 A 72 72 ASN N N 72 114.800 111.767 3.033 1
1 802 . 12 1 1 A 73 73 ALA H H 73 7.580 7.249 0.331 1
1 803 . 12 1 1 A 73 73 ALA HA H 73 4.230 4.239 -0.009 1
1 807 . 12 1 1 A 73 73 ALA C C 73 176.300 178.779 -2.479 1
1 808 . 12 1 1 A 73 73 ALA CA C 73 53.200 52.644 0.556 1
1 809 . 12 1 1 A 73 73 ALA CB C 73 21.000 19.069 1.931 1
1 810 . 12 1 1 A 73 73 ALA N N 73 123.400 123.115 0.285 1
1 811 . 12 1 1 A 74 74 THR H H 74 8.220 8.872 -0.652 1
1 812 . 12 1 1 A 74 74 THR HA H 74 4.560 4.762 -0.202 1
1 817 . 12 1 1 A 74 74 THR C C 74 174.100 174.372 -0.272 1
1 818 . 12 1 1 A 74 74 THR CA C 74 60.200 61.927 -1.727 1
1 819 . 12 1 1 A 74 74 THR CB C 74 69.900 69.643 0.257 1
1 821 . 12 1 1 A 74 74 THR N N 74 104.600 112.195 -7.595 1
1 822 . 12 1 1 A 75 75 GLU H H 75 7.310 7.570 -0.260 1
1 823 . 12 1 1 A 75 75 GLU HA H 75 5.190 4.866 0.324 1
1 828 . 12 1 1 A 75 75 GLU C C 75 173.600 173.984 -0.384 1
1 829 . 12 1 1 A 75 75 GLU CA C 75 54.100 54.955 -0.855 1
1 830 . 12 1 1 A 75 75 GLU CB C 75 34.100 34.678 -0.578 1
1 832 . 12 1 1 A 75 75 GLU N N 75 119.100 119.413 -0.313 1
1 833 . 12 1 1 A 76 76 LEU H H 76 8.400 8.454 -0.054 1
1 834 . 12 1 1 A 76 76 LEU HA H 76 4.650 5.135 -0.485 1
1 844 . 12 1 1 A 76 76 LEU C C 76 174.100 173.926 0.174 1
1 845 . 12 1 1 A 76 76 LEU CA C 76 54.200 53.090 1.110 1
1 846 . 12 1 1 A 76 76 LEU CB C 76 47.400 45.731 1.669 1
1 850 . 12 1 1 A 76 76 LEU N N 76 122.600 124.012 -1.412 1
1 851 . 12 1 1 A 77 77 HIS H H 77 9.340 8.900 0.440 1
1 852 . 12 1 1 A 77 77 HIS HA H 77 5.440 5.143 0.297 1
1 855 . 12 1 1 A 77 77 HIS C C 77 172.700 174.731 -2.031 1
1 856 . 12 1 1 A 77 77 HIS CA C 77 54.400 54.778 -0.378 1
1 857 . 12 1 1 A 77 77 HIS CB C 77 31.700 32.101 -0.401 1
1 858 . 12 1 1 A 77 77 HIS N N 77 123.500 125.012 -1.512 1
1 859 . 12 1 1 A 78 78 ALA H H 78 9.190 8.595 0.595 1
1 860 . 12 1 1 A 78 78 ALA HA H 78 5.620 4.980 0.640 1
1 864 . 12 1 1 A 78 78 ALA C C 78 175.600 175.364 0.236 1
1 865 . 12 1 1 A 78 78 ALA CA C 78 50.300 51.256 -0.956 1
1 866 . 12 1 1 A 78 78 ALA CB C 78 24.100 24.161 -0.061 1
1 867 . 12 1 1 A 78 78 ALA N N 78 124.800 123.538 1.262 1
1 868 . 12 1 1 A 79 79 ARG H H 79 8.680 8.513 0.167 1
1 869 . 12 1 1 A 79 79 ARG HA H 79 5.230 5.354 -0.124 1
1 874 . 12 1 1 A 79 79 ARG C C 79 173.900 174.860 -0.960 1
1 875 . 12 1 1 A 79 79 ARG CA C 79 55.300 54.603 0.697 1
1 876 . 12 1 1 A 79 79 ARG CB C 79 34.400 34.355 0.045 1
1 879 . 12 1 1 A 79 79 ARG N N 79 119.100 118.438 0.662 1
1 880 . 12 1 1 A 80 80 PHE H H 80 8.970 9.373 -0.403 1
1 881 . 12 1 1 A 80 80 PHE HA H 80 4.720 4.957 -0.237 1
1 889 . 12 1 1 A 80 80 PHE C C 80 172.700 173.822 -1.122 1
1 890 . 12 1 1 A 80 80 PHE CA C 80 56.300 56.170 0.130 1
1 891 . 12 1 1 A 80 80 PHE CB C 80 42.600 43.496 -0.896 1
1 897 . 12 1 1 A 80 80 PHE N N 80 119.200 121.587 -2.387 1
1 898 . 12 1 1 A 81 81 LYS H H 81 9.350 8.356 0.994 1
1 899 . 12 1 1 A 81 81 LYS HA H 81 4.800 4.893 -0.093 1
1 908 . 12 1 1 A 81 81 LYS C C 81 174.500 174.304 0.196 1
1 909 . 12 1 1 A 81 81 LYS CA C 81 55.600 54.402 1.198 1
1 910 . 12 1 1 A 81 81 LYS CB C 81 35.200 35.111 0.089 1
1 914 . 12 1 1 A 81 81 LYS N N 81 124.500 122.419 2.081 1
1 915 . 12 1 1 A 82 82 PHE H H 82 8.840 8.434 0.406 1
1 916 . 12 1 1 A 82 82 PHE HA H 82 4.550 4.195 0.355 1
1 924 . 12 1 1 A 82 82 PHE C C 82 173.200 174.875 -1.675 1
1 925 . 12 1 1 A 82 82 PHE CA C 82 57.800 56.718 1.082 1
1 926 . 12 1 1 A 82 82 PHE CB C 82 40.100 40.481 -0.381 1
1 932 . 12 1 1 A 82 82 PHE N N 82 127.900 123.573 4.327 1
1 933 . 12 1 1 A 83 83 GLU H H 83 7.590 8.893 -1.303 1
1 934 . 12 1 1 A 83 83 GLU HA H 83 4.120 4.639 -0.519 1
1 939 . 12 1 1 A 83 83 GLU C C 83 177.500 175.691 1.809 1
1 940 . 12 1 1 A 83 83 GLU CA C 83 58.900 57.668 1.232 1
1 941 . 12 1 1 A 83 83 GLU CB C 83 29.900 33.229 -3.329 1
1 943 . 12 1 1 A 83 83 GLU N N 83 119.400 122.720 -3.320 1
1 944 . 12 1 1 A 84 84 VAL H H 84 7.470 7.557 -0.087 1
1 945 . 12 1 1 A 84 84 VAL HA H 84 4.770 4.683 0.087 1
1 953 . 12 1 1 A 84 84 VAL C C 84 177.100 175.663 1.437 1
1 954 . 12 1 1 A 84 84 VAL CA C 84 58.500 58.956 -0.456 1
1 955 . 12 1 1 A 84 84 VAL CB C 84 36.000 35.261 0.739 1
1 958 . 12 1 1 A 84 84 VAL N N 84 108.000 115.289 -7.289 1
1 959 . 12 1 1 A 85 85 SER H H 85 8.980 8.774 0.206 1
1 960 . 12 1 1 A 85 85 SER HA H 85 4.160 4.303 -0.143 1
1 963 . 12 1 1 A 85 85 SER C C 85 176.900 176.897 0.003 1
1 964 . 12 1 1 A 85 85 SER CA C 85 61.200 60.889 0.311 1
1 965 . 12 1 1 A 85 85 SER CB C 85 62.600 63.326 -0.726 1
1 966 . 12 1 1 A 85 85 SER N N 85 120.300 118.442 1.858 1
1 967 . 12 1 1 A 86 86 ALA H H 86 8.370 8.091 0.279 1
1 968 . 12 1 1 A 86 86 ALA HA H 86 4.000 3.922 0.078 1
1 972 . 12 1 1 A 86 86 ALA C C 86 180.500 179.621 0.879 1
1 973 . 12 1 1 A 86 86 ALA CA C 86 55.600 55.462 0.138 1
1 974 . 12 1 1 A 86 86 ALA CB C 86 18.500 18.109 0.391 1
1 975 . 12 1 1 A 86 86 ALA N N 86 121.800 125.198 -3.398 1
1 976 . 12 1 1 A 87 87 GLU H H 87 6.920 7.931 -1.011 1
1 977 . 12 1 1 A 87 87 GLU HA H 87 3.640 3.889 -0.249 1
1 982 . 12 1 1 A 87 87 GLU C C 87 176.700 178.970 -2.270 1
1 983 . 12 1 1 A 87 87 GLU CA C 87 58.000 59.247 -1.247 1
1 984 . 12 1 1 A 87 87 GLU CB C 87 29.300 29.039 0.261 1
1 986 . 12 1 1 A 87 87 GLU N N 87 114.800 117.839 -3.039 1
1 987 . 12 1 1 A 88 88 LYS H H 88 6.520 7.712 -1.192 1
1 988 . 12 1 1 A 88 88 LYS HA H 88 3.140 4.001 -0.861 1
1 997 . 12 1 1 A 88 88 LYS C C 88 178.100 178.801 -0.701 1
1 998 . 12 1 1 A 88 88 LYS CA C 88 59.700 59.205 0.495 1
1 999 . 12 1 1 A 88 88 LYS CB C 88 32.300 32.243 0.057 1
1 1003 . 12 1 1 A 88 88 LYS N N 88 119.900 121.433 -1.533 1
1 1004 . 12 1 1 A 89 89 LEU H H 89 7.920 7.653 0.267 1
1 1005 . 12 1 1 A 89 89 LEU HA H 89 4.080 4.026 0.054 1
1 1015 . 12 1 1 A 89 89 LEU C C 89 179.900 178.177 1.723 1
1 1016 . 12 1 1 A 89 89 LEU CA C 89 58.000 58.315 -0.315 1
1 1017 . 12 1 1 A 89 89 LEU CB C 89 41.500 41.732 -0.232 1
1 1021 . 12 1 1 A 89 89 LEU N N 89 118.200 120.512 -2.312 1
1 1022 . 12 1 1 A 90 90 ILE H H 90 7.570 7.773 -0.203 1
1 1023 . 12 1 1 A 90 90 ILE HA H 90 3.710 3.579 0.131 1
1 1033 . 12 1 1 A 90 90 ILE C C 90 178.000 178.182 -0.182 1
1 1034 . 12 1 1 A 90 90 ILE CA C 90 64.700 65.020 -0.320 1
1 1035 . 12 1 1 A 90 90 ILE CB C 90 37.600 37.678 -0.078 1
1 1039 . 12 1 1 A 90 90 ILE N N 90 120.400 119.466 0.934 1
1 1040 . 12 1 1 A 91 91 PHE H H 91 8.180 8.871 -0.691 1
1 1041 . 12 1 1 A 91 91 PHE HA H 91 3.920 3.871 0.049 1
1 1049 . 12 1 1 A 91 91 PHE C C 91 177.200 177.297 -0.097 1
1 1050 . 12 1 1 A 91 91 PHE CA C 91 61.600 61.670 -0.070 1
1 1051 . 12 1 1 A 91 91 PHE CB C 91 39.600 39.059 0.541 1
1 1057 . 12 1 1 A 91 91 PHE N N 91 120.100 120.230 -0.130 1
1 1058 . 12 1 1 A 92 92 GLU H H 92 8.470 8.421 0.049 1
1 1059 . 12 1 1 A 92 92 GLU HA H 92 3.620 4.037 -0.417 1
1 1064 . 12 1 1 A 92 92 GLU C C 92 179.100 178.523 0.577 1
1 1065 . 12 1 1 A 92 92 GLU CA C 92 60.100 59.122 0.978 1
1 1066 . 12 1 1 A 92 92 GLU CB C 92 29.300 29.469 -0.169 1
1 1068 . 12 1 1 A 92 92 GLU N N 92 118.800 119.510 -0.710 1
1 1069 . 12 1 1 A 93 93 LEU H H 93 7.980 8.152 -0.172 1
1 1070 . 12 1 1 A 93 93 LEU HA H 93 4.000 3.968 0.032 1
1 1080 . 12 1 1 A 93 93 LEU C C 93 180.600 178.456 2.144 1
1 1081 . 12 1 1 A 93 93 LEU CA C 93 58.300 58.117 0.183 1
1 1082 . 12 1 1 A 93 93 LEU CB C 93 41.700 41.712 -0.012 1
1 1086 . 12 1 1 A 93 93 LEU N N 93 120.800 121.165 -0.365 1
1 1087 . 12 1 1 A 94 94 LYS H H 94 8.340 8.317 0.023 1
1 1088 . 12 1 1 A 94 94 LYS HA H 94 3.990 3.850 0.140 1
1 1097 . 12 1 1 A 94 94 LYS C C 94 179.600 179.243 0.357 1
1 1098 . 12 1 1 A 94 94 LYS CA C 94 59.200 59.262 -0.062 1
1 1099 . 12 1 1 A 94 94 LYS CB C 94 33.100 32.112 0.988 1
1 1103 . 12 1 1 A 94 94 LYS N N 94 119.300 118.349 0.951 1
1 1104 . 12 1 1 A 95 95 THR H H 95 8.100 7.806 0.294 1
1 1105 . 12 1 1 A 95 95 THR HA H 95 3.640 3.506 0.134 1
1 1110 . 12 1 1 A 95 95 THR C C 95 176.800 176.377 0.423 1
1 1111 . 12 1 1 A 95 95 THR CA C 95 63.800 65.199 -1.399 1
1 1112 . 12 1 1 A 95 95 THR CB C 95 68.900 67.113 1.787 1
1 1114 . 12 1 1 A 95 95 THR N N 95 109.700 112.266 -2.566 1
1 1115 . 12 1 1 A 96 96 ARG H H 96 7.570 8.097 -0.527 1
1 1116 . 12 1 1 A 96 96 ARG HA H 96 4.060 3.966 0.094 1
1 1124 . 12 1 1 A 96 96 ARG C C 96 178.300 177.908 0.392 1
1 1125 . 12 1 1 A 96 96 ARG CA C 96 59.500 59.465 0.035 1
1 1126 . 12 1 1 A 96 96 ARG CB C 96 29.800 29.817 -0.017 1
1 1130 . 12 1 1 A 96 96 ARG N N 96 123.200 122.520 0.680 1
1 1132 . 12 1 1 A 97 97 ALA H H 97 7.520 7.938 -0.418 1
1 1133 . 12 1 1 A 97 97 ALA HA H 97 4.130 4.080 0.050 1
1 1137 . 12 1 1 A 97 97 ALA C C 97 179.500 179.920 -0.420 1
1 1138 . 12 1 1 A 97 97 ALA CA C 97 54.100 54.931 -0.831 1
1 1139 . 12 1 1 A 97 97 ALA CB C 97 18.200 17.986 0.214 1
1 1140 . 12 1 1 A 97 97 ALA N N 97 119.700 122.116 -2.416 1
1 1141 . 12 1 1 A 98 98 LEU H H 98 7.370 7.740 -0.370 1
1 1142 . 12 1 1 A 98 98 LEU HA H 98 4.070 3.903 0.167 1
1 1152 . 12 1 1 A 98 98 LEU C C 98 178.800 177.723 1.077 1
1 1153 . 12 1 1 A 98 98 LEU CA C 98 56.500 57.908 -1.408 1
1 1154 . 12 1 1 A 98 98 LEU CB C 98 41.700 41.304 0.396 1
1 1158 . 12 1 1 A 98 98 LEU N N 98 118.300 118.916 -0.616 1
1 1159 . 12 1 1 A 99 99 ALA H H 99 7.940 7.882 0.058 1
1 1160 . 12 1 1 A 99 99 ALA HA H 99 4.250 4.240 0.010 1
1 1164 . 12 1 1 A 99 99 ALA C C 99 179.100 179.115 -0.015 1
1 1165 . 12 1 1 A 99 99 ALA CA C 99 53.600 53.248 0.352 1
1 1166 . 12 1 1 A 99 99 ALA CB C 99 18.600 18.816 -0.216 1
1 1167 . 12 1 1 A 99 99 ALA N N 99 122.100 120.120 1.980 1
1 1168 . 12 1 1 A 100 100 ARG H H 100 7.840 7.609 0.231 1
1 1169 . 12 1 1 A 100 100 ARG HA H 100 4.210 4.292 -0.082 1
1 1176 . 12 1 1 A 100 100 ARG C C 100 177.100 176.007 1.093 1
1 1177 . 12 1 1 A 100 100 ARG CA C 100 57.100 57.367 -0.267 1
1 1178 . 12 1 1 A 100 100 ARG CB C 100 30.300 30.979 -0.679 1
1 1181 . 12 1 1 A 100 100 ARG N N 100 117.900 117.627 0.273 1
1 1182 . 12 1 1 A 101 101 LEU H H 101 7.890 7.929 -0.039 1
1 1183 . 12 1 1 A 101 101 LEU HA H 101 4.240 4.148 0.092 1
1 1193 . 12 1 1 A 101 101 LEU C C 101 177.800 175.956 1.844 1
1 1194 . 12 1 1 A 101 101 LEU CA C 101 55.700 55.791 -0.091 1
1 1195 . 12 1 1 A 101 101 LEU CB C 101 41.900 41.084 0.816 1
1 1199 . 12 1 1 A 101 101 LEU N N 101 120.800 119.361 1.439 1
1 1200 . 12 1 1 A 102 102 GLU H H 102 8.040 8.306 -0.266 1
1 1201 . 12 1 1 A 102 102 GLU HA H 102 4.240 4.296 -0.056 1
1 1206 . 12 1 1 A 102 102 GLU C C 102 176.500 176.594 -0.094 1
1 1207 . 12 1 1 A 102 102 GLU CA C 102 56.600 56.906 -0.306 1
1 1208 . 12 1 1 A 102 102 GLU CB C 102 30.000 30.059 -0.059 1
1 1210 . 12 1 1 A 102 102 GLU N N 102 120.100 123.783 -3.683 1
1 1211 . 12 1 1 A 103 103 HIS H H 103 8.200 8.958 -0.758 1
1 1212 . 12 1 1 A 103 103 HIS HA H 103 4.540 4.487 0.053 1
1 1216 . 12 1 1 A 103 103 HIS CA C 103 56.100 59.117 -3.017 1
1 1217 . 12 1 1 A 103 103 HIS CB C 103 29.900 30.624 -0.724 1
1 1218 . 12 1 1 A 103 103 HIS N N 103 119.200 121.797 -2.597 1
1 1219 . 12 1 1 A 107 107 HIS HA H 107 4.560 5.381 -0.821 1
1 1222 . 12 1 1 A 107 107 HIS C C 107 173.800 172.587 1.213 1
1 1223 . 12 1 1 A 107 107 HIS CA C 107 55.800 53.787 2.013 1
1 1224 . 12 1 1 A 107 107 HIS CB C 107 29.900 33.679 -3.779 1
1 1 . 13 1 1 A 4 4 GLN HA H 4 4.360 4.443 -0.083 1
1 7 . 13 1 1 A 4 4 GLN C C 4 176.100 176.150 -0.050 1
1 8 . 13 1 1 A 4 4 GLN CA C 4 56.000 55.827 0.173 1
1 9 . 13 1 1 A 4 4 GLN CB C 4 29.300 29.434 -0.134 1
1 11 . 13 1 1 A 5 5 THR H H 5 8.280 8.535 -0.255 1
1 12 . 13 1 1 A 5 5 THR HA H 5 4.320 4.429 -0.109 1
1 17 . 13 1 1 A 5 5 THR C C 5 174.300 175.147 -0.847 1
1 18 . 13 1 1 A 5 5 THR CA C 5 62.200 62.424 -0.224 1
1 19 . 13 1 1 A 5 5 THR CB C 5 69.600 69.854 -0.254 1
1 21 . 13 1 1 A 5 5 THR N N 5 115.700 114.737 0.963 1
1 22 . 13 1 1 A 6 6 CYS H H 6 8.410 7.661 0.749 1
1 23 . 13 1 1 A 6 6 CYS HA H 6 4.540 4.503 0.037 1
1 26 . 13 1 1 A 6 6 CYS C C 6 174.400 174.627 -0.227 1
1 27 . 13 1 1 A 6 6 CYS CA C 6 58.200 58.854 -0.654 1
1 28 . 13 1 1 A 6 6 CYS CB C 6 27.800 28.141 -0.341 1
1 29 . 13 1 1 A 6 6 CYS N N 6 121.900 119.524 2.376 1
1 30 . 13 1 1 A 7 7 VAL H H 7 8.290 7.316 0.974 1
1 31 . 13 1 1 A 7 7 VAL HA H 7 4.090 3.985 0.105 1
1 39 . 13 1 1 A 7 7 VAL C C 7 176.100 174.863 1.237 1
1 40 . 13 1 1 A 7 7 VAL CA C 7 62.400 62.578 -0.178 1
1 41 . 13 1 1 A 7 7 VAL CB C 7 32.500 32.094 0.406 1
1 44 . 13 1 1 A 7 7 VAL N N 7 122.700 120.644 2.056 1
1 45 . 13 1 1 A 8 8 GLU H H 8 8.510 8.906 -0.396 1
1 46 . 13 1 1 A 8 8 GLU HA H 8 4.240 4.765 -0.525 1
1 51 . 13 1 1 A 8 8 GLU C C 8 176.100 175.672 0.428 1
1 52 . 13 1 1 A 8 8 GLU CA C 8 56.900 55.211 1.689 1
1 53 . 13 1 1 A 8 8 GLU CB C 8 30.100 30.159 -0.059 1
1 55 . 13 1 1 A 8 8 GLU N N 8 124.300 125.355 -1.055 1
1 56 . 13 1 1 A 9 9 ASN H H 9 8.390 8.863 -0.473 1
1 57 . 13 1 1 A 9 9 ASN HA H 9 4.650 4.806 -0.156 1
1 62 . 13 1 1 A 9 9 ASN C C 9 174.900 175.371 -0.471 1
1 63 . 13 1 1 A 9 9 ASN CA C 9 53.400 53.228 0.172 1
1 64 . 13 1 1 A 9 9 ASN CB C 9 39.000 38.651 0.349 1
1 66 . 13 1 1 A 9 9 ASN N N 9 119.300 117.573 1.727 1
1 68 . 13 1 1 A 10 10 GLU H H 10 8.330 8.532 -0.202 1
1 69 . 13 1 1 A 10 10 GLU HA H 10 4.250 3.955 0.295 1
1 74 . 13 1 1 A 10 10 GLU C C 10 176.400 175.226 1.174 1
1 75 . 13 1 1 A 10 10 GLU CA C 10 56.800 57.247 -0.447 1
1 76 . 13 1 1 A 10 10 GLU CB C 10 30.200 28.151 2.049 1
1 78 . 13 1 1 A 10 10 GLU N N 10 121.400 120.472 0.928 1
1 79 . 13 1 1 A 11 11 VAL H H 11 8.250 8.190 0.060 1
1 80 . 13 1 1 A 11 11 VAL HA H 11 4.090 4.464 -0.374 1
1 88 . 13 1 1 A 11 11 VAL C C 11 176.100 175.615 0.485 1
1 89 . 13 1 1 A 11 11 VAL CA C 11 62.400 60.834 1.566 1
1 90 . 13 1 1 A 11 11 VAL CB C 11 32.500 33.835 -1.335 1
1 93 . 13 1 1 A 11 11 VAL N N 11 121.900 121.839 0.061 1
1 94 . 13 1 1 A 12 12 CYS H H 12 8.450 9.260 -0.810 1
1 95 . 13 1 1 A 12 12 CYS HA H 12 4.500 4.149 0.351 1
1 98 . 13 1 1 A 12 12 CYS C C 12 174.400 174.505 -0.105 1
1 99 . 13 1 1 A 12 12 CYS CA C 12 58.300 60.475 -2.175 1
1 100 . 13 1 1 A 12 12 CYS CB C 12 28.000 26.392 1.608 1
1 101 . 13 1 1 A 12 12 CYS N N 12 123.800 126.486 -2.686 1
1 102 . 13 1 1 A 13 13 GLU H H 13 8.560 8.464 0.096 1
1 103 . 13 1 1 A 13 13 GLU HA H 13 4.260 3.951 0.309 1
1 108 . 13 1 1 A 13 13 GLU C C 13 176.100 176.546 -0.446 1
1 109 . 13 1 1 A 13 13 GLU CA C 13 56.700 58.723 -2.023 1
1 110 . 13 1 1 A 13 13 GLU CB C 13 30.200 28.328 1.872 1
1 112 . 13 1 1 A 13 13 GLU N N 13 124.100 112.065 12.035 1
1 113 . 13 1 1 A 14 14 ALA H H 14 8.400 8.020 0.380 1
1 114 . 13 1 1 A 14 14 ALA HA H 14 4.350 3.920 0.430 1
1 118 . 13 1 1 A 14 14 ALA C C 14 177.700 176.919 0.781 1
1 119 . 13 1 1 A 14 14 ALA CA C 14 52.600 52.891 -0.291 1
1 120 . 13 1 1 A 14 14 ALA CB C 14 19.100 17.335 1.765 1
1 121 . 13 1 1 A 14 14 ALA N N 14 125.400 122.442 2.958 1
1 122 . 13 1 1 A 15 15 CYS H H 15 8.370 8.173 0.197 1
1 123 . 13 1 1 A 15 15 CYS HA H 15 4.490 4.919 -0.429 1
1 126 . 13 1 1 A 15 15 CYS C C 15 175.100 175.329 -0.229 1
1 127 . 13 1 1 A 15 15 CYS CA C 15 58.400 58.209 0.191 1
1 128 . 13 1 1 A 15 15 CYS CB C 15 28.000 29.029 -1.029 1
1 129 . 13 1 1 A 15 15 CYS N N 15 118.500 116.891 1.609 1
1 130 . 13 1 1 A 16 16 GLY H H 16 8.480 8.781 -0.301 1
1 131 . 13 1 1 A 16 16 GLY HA2 H 16 3.970 3.917 0.053 1
1 132 . 13 1 1 A 16 16 GLY HA3 H 16 3.970 3.919 0.051 1
1 133 . 13 1 1 A 16 16 GLY C C 16 174.100 175.215 -1.115 1
1 134 . 13 1 1 A 16 16 GLY CA C 16 45.400 46.431 -1.031 1
1 135 . 13 1 1 A 16 16 GLY N N 16 111.300 113.223 -1.923 1
1 136 . 13 1 1 A 17 17 CYS H H 17 8.300 7.915 0.385 1
1 137 . 13 1 1 A 17 17 CYS HA H 17 4.500 4.193 0.307 1
1 140 . 13 1 1 A 17 17 CYS C C 17 174.500 175.981 -1.481 1
1 141 . 13 1 1 A 17 17 CYS CA C 17 58.300 62.376 -4.076 1
1 142 . 13 1 1 A 17 17 CYS CB C 17 28.100 27.569 0.531 1
1 143 . 13 1 1 A 17 17 CYS N N 17 118.900 118.618 0.282 1
1 144 . 13 1 1 A 18 18 ALA H H 18 8.520 7.449 1.071 1
1 145 . 13 1 1 A 18 18 ALA HA H 18 4.260 4.213 0.047 1
1 149 . 13 1 1 A 18 18 ALA C C 18 178.000 177.928 0.072 1
1 150 . 13 1 1 A 18 18 ALA CA C 18 52.900 52.497 0.403 1
1 151 . 13 1 1 A 18 18 ALA CB C 18 19.000 19.326 -0.326 1
1 152 . 13 1 1 A 18 18 ALA N N 18 126.800 122.656 4.144 1
1 153 . 13 1 1 A 19 19 GLY H H 19 8.310 8.848 -0.538 1
1 154 . 13 1 1 A 19 19 GLY HA2 H 19 3.890 3.904 -0.014 1
1 155 . 13 1 1 A 19 19 GLY HA3 H 19 3.890 3.908 -0.018 1
1 156 . 13 1 1 A 19 19 GLY C C 19 174.000 174.596 -0.596 1
1 157 . 13 1 1 A 19 19 GLY CA C 19 45.000 45.454 -0.454 1
1 158 . 13 1 1 A 19 19 GLY N N 19 108.100 111.198 -3.098 1
1 159 . 13 1 1 A 20 20 GLU H H 20 8.180 8.264 -0.084 1
1 160 . 13 1 1 A 20 20 GLU HA H 20 4.270 3.915 0.355 1
1 165 . 13 1 1 A 20 20 GLU C C 20 176.400 175.305 1.095 1
1 166 . 13 1 1 A 20 20 GLU CA C 20 56.200 57.526 -1.326 1
1 167 . 13 1 1 A 20 20 GLU CB C 20 30.100 28.359 1.741 1
1 169 . 13 1 1 A 20 20 GLU N N 20 120.500 119.336 1.164 1
1 170 . 13 1 1 A 21 21 ILE H H 21 8.160 8.294 -0.134 1
1 171 . 13 1 1 A 21 21 ILE HA H 21 4.020 4.138 -0.118 1
1 181 . 13 1 1 A 21 21 ILE C C 21 176.400 175.719 0.681 1
1 182 . 13 1 1 A 21 21 ILE CA C 21 61.200 62.520 -1.320 1
1 183 . 13 1 1 A 21 21 ILE CB C 21 38.200 36.890 1.310 1
1 187 . 13 1 1 A 21 21 ILE N N 21 122.000 114.166 7.834 1
1 188 . 13 1 1 A 22 22 GLY H H 22 8.260 8.635 -0.375 1
1 189 . 13 1 1 A 22 22 GLY HA2 H 22 3.740 3.757 -0.017 1
1 190 . 13 1 1 A 22 22 GLY HA3 H 22 3.880 3.957 -0.077 1
1 191 . 13 1 1 A 22 22 GLY C C 22 173.200 172.974 0.226 1
1 192 . 13 1 1 A 22 22 GLY CA C 22 45.100 44.197 0.903 1
1 193 . 13 1 1 A 22 22 GLY N N 22 112.500 113.239 -0.739 1
1 194 . 13 1 1 A 23 23 PHE H H 23 7.890 8.280 -0.390 1
1 195 . 13 1 1 A 23 23 PHE HA H 23 4.550 4.749 -0.199 1
1 202 . 13 1 1 A 23 23 PHE CA C 23 58.100 58.375 -0.275 1
1 203 . 13 1 1 A 23 23 PHE CB C 23 41.200 39.645 1.555 1
1 206 . 13 1 1 A 23 23 PHE N N 23 119.700 118.359 1.341 1
1 207 . 13 1 1 A 24 24 ILE HA H 24 3.970 3.727 0.243 1
1 217 . 13 1 1 A 24 24 ILE CA C 24 62.400 64.308 -1.908 1
1 218 . 13 1 1 A 24 24 ILE CB C 24 37.700 37.518 0.182 1
1 222 . 13 1 1 A 25 25 ILE H H 25 8.950 7.799 1.151 1
1 223 . 13 1 1 A 25 25 ILE HA H 25 3.740 3.676 0.064 1
1 233 . 13 1 1 A 25 25 ILE C C 25 175.200 176.097 -0.897 1
1 234 . 13 1 1 A 25 25 ILE CA C 25 62.700 64.747 -2.047 1
1 235 . 13 1 1 A 25 25 ILE CB C 25 38.200 38.098 0.102 1
1 239 . 13 1 1 A 25 25 ILE N N 25 124.800 119.666 5.134 1
1 240 . 13 1 1 A 26 26 ARG H H 26 8.040 7.977 0.063 1
1 241 . 13 1 1 A 26 26 ARG HA H 26 4.140 4.265 -0.125 1
1 248 . 13 1 1 A 26 26 ARG C C 26 175.900 175.497 0.403 1
1 249 . 13 1 1 A 26 26 ARG CA C 26 55.300 56.945 -1.645 1
1 250 . 13 1 1 A 26 26 ARG CB C 26 31.100 29.318 1.782 1
1 253 . 13 1 1 A 26 26 ARG N N 26 128.100 119.813 8.287 1
1 254 . 13 1 1 A 27 27 GLU H H 27 8.560 8.817 -0.257 1
1 255 . 13 1 1 A 27 27 GLU HA H 27 4.030 4.065 -0.035 1
1 260 . 13 1 1 A 27 27 GLU C C 27 176.300 177.188 -0.888 1
1 261 . 13 1 1 A 27 27 GLU CA C 27 57.000 58.412 -1.412 1
1 262 . 13 1 1 A 27 27 GLU CB C 27 30.000 29.490 0.510 1
1 264 . 13 1 1 A 27 27 GLU N N 27 123.500 124.861 -1.361 1
1 265 . 13 1 1 A 28 28 GLY H H 28 8.420 8.491 -0.071 1
1 266 . 13 1 1 A 28 28 GLY HA2 H 28 4.050 4.003 0.047 1
1 267 . 13 1 1 A 28 28 GLY HA3 H 28 4.220 4.004 0.216 1
1 268 . 13 1 1 A 28 28 GLY C C 28 174.000 174.671 -0.671 1
1 269 . 13 1 1 A 28 28 GLY CA C 28 45.400 45.455 -0.055 1
1 270 . 13 1 1 A 28 28 GLY N N 28 108.300 111.857 -3.557 1
1 271 . 13 1 1 A 29 29 ASP H H 29 8.690 8.010 0.680 1
1 272 . 13 1 1 A 29 29 ASP HA H 29 4.430 4.736 -0.306 1
1 275 . 13 1 1 A 29 29 ASP C C 29 175.200 175.342 -0.142 1
1 276 . 13 1 1 A 29 29 ASP CA C 29 56.300 53.878 2.422 1
1 277 . 13 1 1 A 29 29 ASP CB C 29 40.300 42.186 -1.886 1
1 278 . 13 1 1 A 29 29 ASP N N 29 119.800 121.077 -1.277 1
1 279 . 13 1 1 A 30 30 ASP H H 30 8.630 8.712 -0.082 1
1 280 . 13 1 1 A 30 30 ASP HA H 30 4.260 4.781 -0.521 1
1 283 . 13 1 1 A 30 30 ASP C C 30 174.300 175.215 -0.915 1
1 284 . 13 1 1 A 30 30 ASP CA C 30 52.600 54.064 -1.464 1
1 285 . 13 1 1 A 30 30 ASP CB C 30 39.200 39.911 -0.711 1
1 286 . 13 1 1 A 30 30 ASP N N 30 114.900 119.897 -4.997 1
1 287 . 13 1 1 A 31 31 VAL H H 31 7.550 8.409 -0.859 1
1 288 . 13 1 1 A 31 31 VAL HA H 31 5.300 5.271 0.029 1
1 296 . 13 1 1 A 31 31 VAL C C 31 175.800 173.687 2.113 1
1 297 . 13 1 1 A 31 31 VAL CA C 31 60.700 59.654 1.046 1
1 298 . 13 1 1 A 31 31 VAL CB C 31 35.000 35.282 -0.282 1
1 301 . 13 1 1 A 31 31 VAL N N 31 120.500 123.725 -3.225 1
1 302 . 13 1 1 A 32 32 ALA H H 32 9.580 9.484 0.096 1
1 303 . 13 1 1 A 32 32 ALA HA H 32 5.030 5.372 -0.342 1
1 307 . 13 1 1 A 32 32 ALA C C 32 175.800 175.918 -0.118 1
1 308 . 13 1 1 A 32 32 ALA CA C 32 50.000 50.201 -0.201 1
1 309 . 13 1 1 A 32 32 ALA CB C 32 22.800 23.357 -0.557 1
1 310 . 13 1 1 A 32 32 ALA N N 32 130.500 129.548 0.952 1
1 311 . 13 1 1 A 33 33 GLU H H 33 9.270 8.809 0.461 1
1 312 . 13 1 1 A 33 33 GLU HA H 33 5.140 5.289 -0.149 1
1 317 . 13 1 1 A 33 33 GLU C C 33 175.900 175.664 0.236 1
1 318 . 13 1 1 A 33 33 GLU CA C 33 55.300 55.259 0.041 1
1 319 . 13 1 1 A 33 33 GLU CB C 33 31.500 32.800 -1.300 1
1 321 . 13 1 1 A 33 33 GLU N N 33 124.500 119.448 5.052 1
1 322 . 13 1 1 A 34 34 VAL H H 34 9.140 8.819 0.321 1
1 323 . 13 1 1 A 34 34 VAL HA H 34 4.580 5.008 -0.428 1
1 331 . 13 1 1 A 34 34 VAL C C 34 174.300 175.189 -0.889 1
1 332 . 13 1 1 A 34 34 VAL CA C 34 60.800 60.699 0.101 1
1 333 . 13 1 1 A 34 34 VAL CB C 34 35.700 34.923 0.777 1
1 336 . 13 1 1 A 34 34 VAL N N 34 124.700 124.025 0.675 1
1 337 . 13 1 1 A 35 35 SER H H 35 8.450 9.078 -0.628 1
1 338 . 13 1 1 A 35 35 SER HA H 35 5.060 5.449 -0.389 1
1 341 . 13 1 1 A 35 35 SER C C 35 172.100 171.929 0.171 1
1 342 . 13 1 1 A 35 35 SER CA C 35 56.900 56.631 0.269 1
1 343 . 13 1 1 A 35 35 SER CB C 35 64.800 65.650 -0.850 1
1 344 . 13 1 1 A 35 35 SER N N 35 122.100 121.556 0.544 1
1 345 . 13 1 1 A 36 36 LEU H H 36 8.540 8.602 -0.062 1
1 346 . 13 1 1 A 36 36 LEU HA H 36 4.570 5.275 -0.705 1
1 356 . 13 1 1 A 36 36 LEU C C 36 174.200 174.017 0.183 1
1 357 . 13 1 1 A 36 36 LEU CA C 36 52.600 52.393 0.207 1
1 358 . 13 1 1 A 36 36 LEU CB C 36 45.600 45.627 -0.027 1
1 362 . 13 1 1 A 36 36 LEU N N 36 123.600 126.323 -2.723 1
1 363 . 13 1 1 A 37 37 PHE H H 37 8.400 8.940 -0.540 1
1 364 . 13 1 1 A 37 37 PHE HA H 37 5.300 5.457 -0.157 1
1 369 . 13 1 1 A 37 37 PHE C C 37 175.600 176.340 -0.740 1
1 370 . 13 1 1 A 37 37 PHE CA C 37 56.300 55.671 0.629 1
1 371 . 13 1 1 A 37 37 PHE CB C 37 42.000 41.984 0.016 1
1 374 . 13 1 1 A 37 37 PHE N N 37 118.300 124.854 -6.554 1
1 375 . 13 1 1 A 38 38 GLY H H 38 8.340 8.447 -0.107 1
1 376 . 13 1 1 A 38 38 GLY HA2 H 38 3.750 4.327 -0.577 1
1 377 . 13 1 1 A 38 38 GLY HA3 H 38 4.210 4.408 -0.198 1
1 378 . 13 1 1 A 38 38 GLY CA C 38 45.600 45.724 -0.124 1
1 379 . 13 1 1 A 38 38 GLY N N 38 109.300 109.747 -0.447 1
1 380 . 13 1 1 A 39 39 SER HA H 39 4.210 4.432 -0.222 1
1 383 . 13 1 1 A 39 39 SER C C 39 173.700 173.449 0.251 1
1 384 . 13 1 1 A 39 39 SER CA C 39 60.100 59.535 0.565 1
1 385 . 13 1 1 A 39 39 SER CB C 39 63.900 63.209 0.691 1
1 386 . 13 1 1 A 40 40 ASP H H 40 7.670 8.205 -0.535 1
1 387 . 13 1 1 A 40 40 ASP HA H 40 4.810 4.732 0.078 1
1 390 . 13 1 1 A 40 40 ASP C C 40 175.500 177.610 -2.110 1
1 391 . 13 1 1 A 40 40 ASP CA C 40 52.900 53.800 -0.900 1
1 392 . 13 1 1 A 40 40 ASP CB C 40 41.300 41.497 -0.197 1
1 393 . 13 1 1 A 40 40 ASP N N 40 115.800 120.891 -5.091 1
1 394 . 13 1 1 A 41 41 LYS H H 41 8.260 8.715 -0.455 1
1 395 . 13 1 1 A 41 41 LYS HA H 41 3.780 3.947 -0.167 1
1 404 . 13 1 1 A 41 41 LYS C C 41 177.100 178.086 -0.986 1
1 405 . 13 1 1 A 41 41 LYS CA C 41 60.500 59.218 1.282 1
1 406 . 13 1 1 A 41 41 LYS CB C 41 33.400 31.982 1.418 1
1 410 . 13 1 1 A 41 41 LYS N N 41 120.200 123.661 -3.461 1
1 411 . 13 1 1 A 42 42 ALA H H 42 8.420 7.958 0.462 1
1 412 . 13 1 1 A 42 42 ALA HA H 42 4.180 4.151 0.029 1
1 416 . 13 1 1 A 42 42 ALA C C 42 181.900 179.858 2.042 1
1 417 . 13 1 1 A 42 42 ALA CA C 42 55.400 54.948 0.452 1
1 418 . 13 1 1 A 42 42 ALA CB C 42 17.700 18.037 -0.337 1
1 419 . 13 1 1 A 42 42 ALA N N 42 120.700 121.958 -1.258 1
1 420 . 13 1 1 A 43 43 HIS H H 43 8.490 7.817 0.673 1
1 421 . 13 1 1 A 43 43 HIS HA H 43 4.330 4.367 -0.037 1
1 424 . 13 1 1 A 43 43 HIS C C 43 178.800 176.976 1.824 1
1 425 . 13 1 1 A 43 43 HIS CA C 43 59.600 59.884 -0.284 1
1 426 . 13 1 1 A 43 43 HIS CB C 43 30.300 30.286 0.014 1
1 427 . 13 1 1 A 43 43 HIS N N 43 118.000 118.120 -0.120 1
1 428 . 13 1 1 A 44 44 LEU H H 44 8.340 8.188 0.152 1
1 429 . 13 1 1 A 44 44 LEU HA H 44 3.750 3.741 0.009 1
1 439 . 13 1 1 A 44 44 LEU C C 44 178.500 179.009 -0.509 1
1 440 . 13 1 1 A 44 44 LEU CA C 44 58.200 57.905 0.295 1
1 441 . 13 1 1 A 44 44 LEU CB C 44 42.100 41.377 0.723 1
1 445 . 13 1 1 A 44 44 LEU N N 44 121.500 119.496 2.004 1
1 446 . 13 1 1 A 45 45 GLU H H 45 8.880 8.642 0.238 1
1 447 . 13 1 1 A 45 45 GLU HA H 45 3.750 4.003 -0.253 1
1 452 . 13 1 1 A 45 45 GLU C C 45 180.200 180.001 0.199 1
1 453 . 13 1 1 A 45 45 GLU CA C 45 60.000 59.458 0.542 1
1 454 . 13 1 1 A 45 45 GLU CB C 45 29.000 29.157 -0.157 1
1 456 . 13 1 1 A 45 45 GLU N N 45 118.300 118.077 0.223 1
1 457 . 13 1 1 A 46 46 GLY H H 46 7.970 8.269 -0.299 1
1 458 . 13 1 1 A 46 46 GLY HA2 H 46 3.920 3.616 0.304 1
1 459 . 13 1 1 A 46 46 GLY HA3 H 46 3.920 3.663 0.257 1
1 460 . 13 1 1 A 46 46 GLY C C 46 176.500 175.645 0.855 1
1 461 . 13 1 1 A 46 46 GLY CA C 46 46.900 47.393 -0.493 1
1 462 . 13 1 1 A 46 46 GLY N N 46 108.100 109.730 -1.630 1
1 463 . 13 1 1 A 47 47 LYS H H 47 7.690 7.542 0.148 1
1 464 . 13 1 1 A 47 47 LYS HA H 47 4.320 4.000 0.320 1
1 473 . 13 1 1 A 47 47 LYS C C 47 179.400 179.396 0.004 1
1 474 . 13 1 1 A 47 47 LYS CA C 47 58.400 59.301 -0.901 1
1 475 . 13 1 1 A 47 47 LYS CB C 47 32.100 32.152 -0.052 1
1 479 . 13 1 1 A 47 47 LYS N N 47 122.400 121.955 0.445 1
1 480 . 13 1 1 A 48 48 LEU H H 48 8.550 8.177 0.373 1
1 481 . 13 1 1 A 48 48 LEU HA H 48 3.980 3.873 0.107 1
1 491 . 13 1 1 A 48 48 LEU C C 48 178.300 178.588 -0.288 1
1 492 . 13 1 1 A 48 48 LEU CA C 48 57.900 57.937 -0.037 1
1 493 . 13 1 1 A 48 48 LEU CB C 48 40.800 41.416 -0.616 1
1 497 . 13 1 1 A 48 48 LEU N N 48 120.600 121.685 -1.085 1
1 498 . 13 1 1 A 49 49 ALA H H 49 7.810 8.098 -0.288 1
1 499 . 13 1 1 A 49 49 ALA HA H 49 4.000 3.997 0.003 1
1 503 . 13 1 1 A 49 49 ALA C C 49 180.400 180.077 0.323 1
1 504 . 13 1 1 A 49 49 ALA CA C 49 55.600 55.390 0.210 1
1 505 . 13 1 1 A 49 49 ALA CB C 49 17.900 18.125 -0.225 1
1 506 . 13 1 1 A 49 49 ALA N N 49 120.000 120.531 -0.531 1
1 507 . 13 1 1 A 50 50 GLU H H 50 7.520 8.124 -0.604 1
1 508 . 13 1 1 A 50 50 GLU HA H 50 4.130 4.290 -0.160 1
1 513 . 13 1 1 A 50 50 GLU C C 50 179.600 179.358 0.242 1
1 514 . 13 1 1 A 50 50 GLU CA C 50 59.200 58.780 0.420 1
1 515 . 13 1 1 A 50 50 GLU CB C 50 29.800 29.696 0.104 1
1 517 . 13 1 1 A 50 50 GLU N N 50 117.300 119.155 -1.855 1
1 518 . 13 1 1 A 51 51 TYR H H 51 7.860 8.114 -0.254 1
1 519 . 13 1 1 A 51 51 TYR HA H 51 3.900 4.321 -0.421 1
1 526 . 13 1 1 A 51 51 TYR C C 51 177.900 178.415 -0.515 1
1 527 . 13 1 1 A 51 51 TYR CA C 51 62.400 61.045 1.355 1
1 528 . 13 1 1 A 51 51 TYR CB C 51 38.200 38.335 -0.135 1
1 533 . 13 1 1 A 51 51 TYR N N 51 120.300 119.498 0.802 1
1 534 . 13 1 1 A 52 52 ILE H H 52 8.590 8.229 0.361 1
1 535 . 13 1 1 A 52 52 ILE HA H 52 3.420 3.601 -0.181 1
1 545 . 13 1 1 A 52 52 ILE C C 52 177.400 177.977 -0.577 1
1 546 . 13 1 1 A 52 52 ILE CA C 52 66.200 65.019 1.181 1
1 547 . 13 1 1 A 52 52 ILE CB C 52 38.200 37.888 0.312 1
1 551 . 13 1 1 A 52 52 ILE N N 52 120.100 120.641 -0.541 1
1 552 . 13 1 1 A 53 53 SER H H 53 7.860 8.293 -0.433 1
1 553 . 13 1 1 A 53 53 SER HA H 53 4.080 4.232 -0.152 1
1 556 . 13 1 1 A 53 53 SER C C 53 177.700 177.891 -0.191 1
1 557 . 13 1 1 A 53 53 SER CA C 53 61.800 61.831 -0.031 1
1 558 . 13 1 1 A 53 53 SER CB C 53 62.600 62.344 0.256 1
1 559 . 13 1 1 A 53 53 SER N N 53 113.100 115.356 -2.256 1
1 560 . 13 1 1 A 54 54 LEU H H 54 7.610 8.139 -0.529 1
1 561 . 13 1 1 A 54 54 LEU HA H 54 4.090 4.126 -0.036 1
1 571 . 13 1 1 A 54 54 LEU C C 54 178.600 179.096 -0.496 1
1 572 . 13 1 1 A 54 54 LEU CA C 54 58.000 57.652 0.348 1
1 573 . 13 1 1 A 54 54 LEU CB C 54 42.200 41.321 0.879 1
1 577 . 13 1 1 A 54 54 LEU N N 54 121.200 123.034 -1.834 1
1 578 . 13 1 1 A 55 55 ALA H H 55 8.640 8.461 0.179 1
1 579 . 13 1 1 A 55 55 ALA HA H 55 3.860 3.979 -0.119 1
1 583 . 13 1 1 A 55 55 ALA C C 55 179.100 179.616 -0.516 1
1 584 . 13 1 1 A 55 55 ALA CA C 55 56.200 55.568 0.632 1
1 585 . 13 1 1 A 55 55 ALA CB C 55 19.000 18.460 0.540 1
1 586 . 13 1 1 A 55 55 ALA N N 55 121.900 122.013 -0.113 1
1 587 . 13 1 1 A 56 56 LYS H H 56 8.120 7.744 0.376 1
1 588 . 13 1 1 A 56 56 LYS HA H 56 4.220 4.060 0.160 1
1 597 . 13 1 1 A 56 56 LYS C C 56 178.800 179.756 -0.956 1
1 598 . 13 1 1 A 56 56 LYS CA C 56 58.300 59.377 -1.077 1
1 599 . 13 1 1 A 56 56 LYS CB C 56 32.900 32.368 0.532 1
1 603 . 13 1 1 A 56 56 LYS N N 56 115.600 117.219 -1.619 1
1 604 . 13 1 1 A 57 57 GLN H H 57 7.590 7.765 -0.175 1
1 605 . 13 1 1 A 57 57 GLN HA H 57 4.010 4.044 -0.034 1
1 612 . 13 1 1 A 57 57 GLN C C 57 178.300 178.975 -0.675 1
1 613 . 13 1 1 A 57 57 GLN CA C 57 58.400 58.935 -0.535 1
1 614 . 13 1 1 A 57 57 GLN CB C 57 28.600 28.241 0.359 1
1 617 . 13 1 1 A 57 57 GLN N N 57 117.900 118.899 -0.999 1
1 619 . 13 1 1 A 58 58 VAL H H 58 7.650 8.101 -0.451 1
1 620 . 13 1 1 A 58 58 VAL HA H 58 3.750 3.819 -0.069 1
1 628 . 13 1 1 A 58 58 VAL C C 58 176.400 176.241 0.159 1
1 629 . 13 1 1 A 58 58 VAL CA C 58 65.500 65.833 -0.333 1
1 630 . 13 1 1 A 58 58 VAL CB C 58 32.000 32.260 -0.260 1
1 633 . 13 1 1 A 58 58 VAL N N 58 120.200 118.183 2.017 1
1 634 . 13 1 1 A 59 59 TYR H H 59 8.700 8.075 0.625 1
1 635 . 13 1 1 A 59 59 TYR HA H 59 5.040 4.926 0.114 1
1 642 . 13 1 1 A 59 59 TYR C C 59 174.100 173.830 0.270 1
1 643 . 13 1 1 A 59 59 TYR CA C 59 55.500 57.517 -2.017 1
1 644 . 13 1 1 A 59 59 TYR CB C 59 40.500 41.655 -1.155 1
1 649 . 13 1 1 A 59 59 TYR N N 59 120.400 119.542 0.858 1
1 650 . 13 1 1 A 60 60 ALA H H 60 8.900 8.156 0.744 1
1 651 . 13 1 1 A 60 60 ALA HA H 60 4.230 4.027 0.203 1
1 655 . 13 1 1 A 60 60 ALA CA C 60 55.400 52.516 2.884 1
1 656 . 13 1 1 A 60 60 ALA CB C 60 18.100 19.032 -0.932 1
1 657 . 13 1 1 A 60 60 ALA N N 60 131.000 128.896 2.104 1
1 658 . 13 1 1 A 61 61 ASN H H 61 5.430 9.007 -3.577 1
1 659 . 13 1 1 A 61 61 ASN HA H 61 4.760 4.310 0.450 1
1 664 . 13 1 1 A 61 61 ASN C C 61 173.200 175.182 -1.982 1
1 665 . 13 1 1 A 61 61 ASN CA C 61 51.800 53.958 -2.158 1
1 666 . 13 1 1 A 61 61 ASN CB C 61 37.600 37.290 0.310 1
1 668 . 13 1 1 A 61 61 ASN N N 61 111.100 118.606 -7.506 1
1 670 . 13 1 1 A 62 62 VAL H H 62 6.870 7.873 -1.003 1
1 671 . 13 1 1 A 62 62 VAL HA H 62 3.730 4.254 -0.524 1
1 679 . 13 1 1 A 62 62 VAL C C 62 172.400 175.154 -2.754 1
1 680 . 13 1 1 A 62 62 VAL CA C 62 62.500 62.422 0.078 1
1 681 . 13 1 1 A 62 62 VAL CB C 62 31.300 32.559 -1.259 1
1 684 . 13 1 1 A 62 62 VAL N N 62 120.400 119.485 0.915 1
1 685 . 13 1 1 A 63 63 GLU H H 63 7.360 8.453 -1.093 1
1 686 . 13 1 1 A 63 63 GLU HA H 63 4.590 4.990 -0.400 1
1 691 . 13 1 1 A 63 63 GLU C C 63 174.500 175.475 -0.975 1
1 692 . 13 1 1 A 63 63 GLU CA C 63 54.000 54.789 -0.789 1
1 693 . 13 1 1 A 63 63 GLU CB C 63 32.700 32.825 -0.125 1
1 695 . 13 1 1 A 63 63 GLU N N 63 126.500 127.027 -0.527 1
1 696 . 13 1 1 A 64 64 TYR H H 64 8.300 8.494 -0.194 1
1 697 . 13 1 1 A 64 64 TYR HA H 64 5.400 5.269 0.131 1
1 704 . 13 1 1 A 64 64 TYR C C 64 173.400 172.130 1.270 1
1 705 . 13 1 1 A 64 64 TYR CA C 64 54.800 55.686 -0.886 1
1 706 . 13 1 1 A 64 64 TYR CB C 64 41.800 41.721 0.079 1
1 711 . 13 1 1 A 64 64 TYR N N 64 118.800 119.213 -0.413 1
1 712 . 13 1 1 A 65 65 GLU H H 65 8.470 8.173 0.297 1
1 713 . 13 1 1 A 65 65 GLU HA H 65 4.440 4.778 -0.338 1
1 718 . 13 1 1 A 65 65 GLU C C 65 173.800 174.399 -0.599 1
1 719 . 13 1 1 A 65 65 GLU CA C 65 54.600 55.044 -0.444 1
1 720 . 13 1 1 A 65 65 GLU CB C 65 35.000 33.766 1.234 1
1 722 . 13 1 1 A 65 65 GLU N N 65 121.300 120.152 1.148 1
1 723 . 13 1 1 A 66 66 VAL H H 66 8.780 8.826 -0.046 1
1 724 . 13 1 1 A 66 66 VAL HA H 66 4.600 4.589 0.011 1
1 732 . 13 1 1 A 66 66 VAL C C 66 175.900 175.174 0.726 1
1 733 . 13 1 1 A 66 66 VAL CA C 66 60.800 60.650 0.150 1
1 734 . 13 1 1 A 66 66 VAL CB C 66 33.800 34.785 -0.985 1
1 737 . 13 1 1 A 66 66 VAL N N 66 126.000 125.176 0.824 1
1 738 . 13 1 1 A 67 67 ALA H H 67 8.400 8.421 -0.021 1
1 739 . 13 1 1 A 67 67 ALA HA H 67 4.390 4.600 -0.210 1
1 743 . 13 1 1 A 67 67 ALA CA C 67 51.100 50.829 0.271 1
1 744 . 13 1 1 A 67 67 ALA CB C 67 16.800 18.038 -1.238 1
1 745 . 13 1 1 A 67 67 ALA N N 67 132.400 130.194 2.206 1
1 746 . 13 1 1 A 68 68 PRO HA H 68 4.260 4.505 -0.245 1
1 753 . 13 1 1 A 68 68 PRO C C 68 176.400 175.895 0.505 1
1 754 . 13 1 1 A 68 68 PRO CA C 68 63.800 63.291 0.509 1
1 755 . 13 1 1 A 68 68 PRO CB C 68 31.800 32.139 -0.339 1
1 758 . 13 1 1 A 69 69 VAL H H 69 8.240 8.445 -0.205 1
1 759 . 13 1 1 A 69 69 VAL HA H 69 4.360 4.525 -0.165 1
1 767 . 13 1 1 A 69 69 VAL C C 69 175.500 175.235 0.265 1
1 768 . 13 1 1 A 69 69 VAL CA C 69 60.500 60.671 -0.171 1
1 769 . 13 1 1 A 69 69 VAL CB C 69 34.200 35.038 -0.838 1
1 772 . 13 1 1 A 69 69 VAL N N 69 121.600 123.490 -1.890 1
1 773 . 13 1 1 A 70 70 ALA H H 70 8.630 8.699 -0.069 1
1 774 . 13 1 1 A 70 70 ALA HA H 70 4.370 4.503 -0.133 1
1 778 . 13 1 1 A 70 70 ALA C C 70 178.100 177.910 0.190 1
1 779 . 13 1 1 A 70 70 ALA CA C 70 51.700 51.906 -0.206 1
1 780 . 13 1 1 A 70 70 ALA CB C 70 19.700 19.633 0.067 1
1 781 . 13 1 1 A 70 70 ALA N N 70 128.800 129.678 -0.878 1
1 782 . 13 1 1 A 71 71 ASP H H 71 8.640 9.055 -0.415 1
1 783 . 13 1 1 A 71 71 ASP HA H 71 4.330 4.360 -0.030 1
1 786 . 13 1 1 A 71 71 ASP C C 71 177.000 177.552 -0.552 1
1 787 . 13 1 1 A 71 71 ASP CA C 71 57.300 57.498 -0.198 1
1 788 . 13 1 1 A 71 71 ASP CB C 71 40.300 40.735 -0.435 1
1 789 . 13 1 1 A 71 71 ASP N N 71 118.900 122.240 -3.340 1
1 790 . 13 1 1 A 72 72 ASN H H 72 8.100 7.624 0.476 1
1 791 . 13 1 1 A 72 72 ASN HA H 72 4.810 4.894 -0.084 1
1 796 . 13 1 1 A 72 72 ASN C C 72 175.300 175.101 0.199 1
1 797 . 13 1 1 A 72 72 ASN CA C 72 51.900 53.179 -1.279 1
1 798 . 13 1 1 A 72 72 ASN CB C 72 37.400 39.042 -1.642 1
1 800 . 13 1 1 A 72 72 ASN N N 72 114.800 114.926 -0.126 1
1 802 . 13 1 1 A 73 73 ALA H H 73 7.580 7.216 0.364 1
1 803 . 13 1 1 A 73 73 ALA HA H 73 4.230 4.186 0.044 1
1 807 . 13 1 1 A 73 73 ALA C C 73 176.300 178.691 -2.391 1
1 808 . 13 1 1 A 73 73 ALA CA C 73 53.200 52.982 0.218 1
1 809 . 13 1 1 A 73 73 ALA CB C 73 21.000 18.939 2.061 1
1 810 . 13 1 1 A 73 73 ALA N N 73 123.400 122.895 0.505 1
1 811 . 13 1 1 A 74 74 THR H H 74 8.220 8.861 -0.641 1
1 812 . 13 1 1 A 74 74 THR HA H 74 4.560 4.734 -0.174 1
1 817 . 13 1 1 A 74 74 THR C C 74 174.100 174.364 -0.264 1
1 818 . 13 1 1 A 74 74 THR CA C 74 60.200 61.693 -1.493 1
1 819 . 13 1 1 A 74 74 THR CB C 74 69.900 69.615 0.285 1
1 821 . 13 1 1 A 74 74 THR N N 74 104.600 112.487 -7.887 1
1 822 . 13 1 1 A 75 75 GLU H H 75 7.310 7.550 -0.240 1
1 823 . 13 1 1 A 75 75 GLU HA H 75 5.190 4.891 0.299 1
1 828 . 13 1 1 A 75 75 GLU C C 75 173.600 173.526 0.074 1
1 829 . 13 1 1 A 75 75 GLU CA C 75 54.100 55.115 -1.015 1
1 830 . 13 1 1 A 75 75 GLU CB C 75 34.100 33.123 0.977 1
1 832 . 13 1 1 A 75 75 GLU N N 75 119.100 122.250 -3.150 1
1 833 . 13 1 1 A 76 76 LEU H H 76 8.400 8.471 -0.071 1
1 834 . 13 1 1 A 76 76 LEU HA H 76 4.650 5.052 -0.402 1
1 844 . 13 1 1 A 76 76 LEU C C 76 174.100 173.960 0.140 1
1 845 . 13 1 1 A 76 76 LEU CA C 76 54.200 53.118 1.082 1
1 846 . 13 1 1 A 76 76 LEU CB C 76 47.400 45.663 1.737 1
1 850 . 13 1 1 A 76 76 LEU N N 76 122.600 125.776 -3.176 1
1 851 . 13 1 1 A 77 77 HIS H H 77 9.340 8.834 0.506 1
1 852 . 13 1 1 A 77 77 HIS HA H 77 5.440 5.160 0.280 1
1 855 . 13 1 1 A 77 77 HIS C C 77 172.700 174.583 -1.883 1
1 856 . 13 1 1 A 77 77 HIS CA C 77 54.400 54.741 -0.341 1
1 857 . 13 1 1 A 77 77 HIS CB C 77 31.700 31.717 -0.017 1
1 858 . 13 1 1 A 77 77 HIS N N 77 123.500 125.016 -1.516 1
1 859 . 13 1 1 A 78 78 ALA H H 78 9.190 8.790 0.400 1
1 860 . 13 1 1 A 78 78 ALA HA H 78 5.620 5.011 0.609 1
1 864 . 13 1 1 A 78 78 ALA C C 78 175.600 175.201 0.399 1
1 865 . 13 1 1 A 78 78 ALA CA C 78 50.300 51.098 -0.798 1
1 866 . 13 1 1 A 78 78 ALA CB C 78 24.100 24.036 0.064 1
1 867 . 13 1 1 A 78 78 ALA N N 78 124.800 122.870 1.930 1
1 868 . 13 1 1 A 79 79 ARG H H 79 8.680 8.262 0.418 1
1 869 . 13 1 1 A 79 79 ARG HA H 79 5.230 5.369 -0.139 1
1 874 . 13 1 1 A 79 79 ARG C C 79 173.900 174.833 -0.933 1
1 875 . 13 1 1 A 79 79 ARG CA C 79 55.300 54.400 0.900 1
1 876 . 13 1 1 A 79 79 ARG CB C 79 34.400 34.467 -0.067 1
1 879 . 13 1 1 A 79 79 ARG N N 79 119.100 118.631 0.469 1
1 880 . 13 1 1 A 80 80 PHE H H 80 8.970 8.911 0.059 1
1 881 . 13 1 1 A 80 80 PHE HA H 80 4.720 5.074 -0.354 1
1 889 . 13 1 1 A 80 80 PHE C C 80 172.700 174.031 -1.331 1
1 890 . 13 1 1 A 80 80 PHE CA C 80 56.300 56.207 0.093 1
1 891 . 13 1 1 A 80 80 PHE CB C 80 42.600 43.255 -0.655 1
1 897 . 13 1 1 A 80 80 PHE N N 80 119.200 121.276 -2.076 1
1 898 . 13 1 1 A 81 81 LYS H H 81 9.350 8.634 0.716 1
1 899 . 13 1 1 A 81 81 LYS HA H 81 4.800 5.192 -0.392 1
1 908 . 13 1 1 A 81 81 LYS C C 81 174.500 174.770 -0.270 1
1 909 . 13 1 1 A 81 81 LYS CA C 81 55.600 54.687 0.913 1
1 910 . 13 1 1 A 81 81 LYS CB C 81 35.200 35.061 0.139 1
1 914 . 13 1 1 A 81 81 LYS N N 81 124.500 122.700 1.800 1
1 915 . 13 1 1 A 82 82 PHE H H 82 8.840 8.764 0.076 1
1 916 . 13 1 1 A 82 82 PHE HA H 82 4.550 4.553 -0.003 1
1 924 . 13 1 1 A 82 82 PHE C C 82 173.200 175.974 -2.774 1
1 925 . 13 1 1 A 82 82 PHE CA C 82 57.800 56.613 1.187 1
1 926 . 13 1 1 A 82 82 PHE CB C 82 40.100 41.736 -1.636 1
1 932 . 13 1 1 A 82 82 PHE N N 82 127.900 125.202 2.698 1
1 933 . 13 1 1 A 83 83 GLU H H 83 7.590 8.257 -0.667 1
1 934 . 13 1 1 A 83 83 GLU HA H 83 4.120 4.045 0.075 1
1 939 . 13 1 1 A 83 83 GLU C C 83 177.500 176.204 1.296 1
1 940 . 13 1 1 A 83 83 GLU CA C 83 58.900 58.586 0.314 1
1 941 . 13 1 1 A 83 83 GLU CB C 83 29.900 29.862 0.038 1
1 943 . 13 1 1 A 83 83 GLU N N 83 119.400 122.775 -3.375 1
1 944 . 13 1 1 A 84 84 VAL H H 84 7.470 7.510 -0.040 1
1 945 . 13 1 1 A 84 84 VAL HA H 84 4.770 4.599 0.171 1
1 953 . 13 1 1 A 84 84 VAL C C 84 177.100 175.738 1.362 1
1 954 . 13 1 1 A 84 84 VAL CA C 84 58.500 58.811 -0.311 1
1 955 . 13 1 1 A 84 84 VAL CB C 84 36.000 35.187 0.813 1
1 958 . 13 1 1 A 84 84 VAL N N 84 108.000 114.056 -6.056 1
1 959 . 13 1 1 A 85 85 SER H H 85 8.980 8.837 0.143 1
1 960 . 13 1 1 A 85 85 SER HA H 85 4.160 4.224 -0.064 1
1 963 . 13 1 1 A 85 85 SER C C 85 176.900 176.680 0.220 1
1 964 . 13 1 1 A 85 85 SER CA C 85 61.200 61.110 0.090 1
1 965 . 13 1 1 A 85 85 SER CB C 85 62.600 63.058 -0.458 1
1 966 . 13 1 1 A 85 85 SER N N 85 120.300 118.672 1.628 1
1 967 . 13 1 1 A 86 86 ALA H H 86 8.370 8.419 -0.049 1
1 968 . 13 1 1 A 86 86 ALA HA H 86 4.000 3.908 0.092 1
1 972 . 13 1 1 A 86 86 ALA C C 86 180.500 179.840 0.660 1
1 973 . 13 1 1 A 86 86 ALA CA C 86 55.600 55.307 0.293 1
1 974 . 13 1 1 A 86 86 ALA CB C 86 18.500 18.370 0.130 1
1 975 . 13 1 1 A 86 86 ALA N N 86 121.800 124.570 -2.770 1
1 976 . 13 1 1 A 87 87 GLU H H 87 6.920 7.963 -1.043 1
1 977 . 13 1 1 A 87 87 GLU HA H 87 3.640 3.890 -0.250 1
1 982 . 13 1 1 A 87 87 GLU C C 87 176.700 178.765 -2.065 1
1 983 . 13 1 1 A 87 87 GLU CA C 87 58.000 58.994 -0.994 1
1 984 . 13 1 1 A 87 87 GLU CB C 87 29.300 29.057 0.243 1
1 986 . 13 1 1 A 87 87 GLU N N 87 114.800 117.711 -2.911 1
1 987 . 13 1 1 A 88 88 LYS H H 88 6.520 7.220 -0.700 1
1 988 . 13 1 1 A 88 88 LYS HA H 88 3.140 3.513 -0.373 1
1 997 . 13 1 1 A 88 88 LYS C C 88 178.100 178.908 -0.808 1
1 998 . 13 1 1 A 88 88 LYS CA C 88 59.700 59.008 0.692 1
1 999 . 13 1 1 A 88 88 LYS CB C 88 32.300 32.045 0.255 1
1 1003 . 13 1 1 A 88 88 LYS N N 88 119.900 121.388 -1.488 1
1 1004 . 13 1 1 A 89 89 LEU H H 89 7.920 8.026 -0.106 1
1 1005 . 13 1 1 A 89 89 LEU HA H 89 4.080 4.015 0.065 1
1 1015 . 13 1 1 A 89 89 LEU C C 89 179.900 179.083 0.817 1
1 1016 . 13 1 1 A 89 89 LEU CA C 89 58.000 58.096 -0.096 1
1 1017 . 13 1 1 A 89 89 LEU CB C 89 41.500 41.719 -0.219 1
1 1021 . 13 1 1 A 89 89 LEU N N 89 118.200 118.726 -0.526 1
1 1022 . 13 1 1 A 90 90 ILE H H 90 7.570 7.608 -0.038 1
1 1023 . 13 1 1 A 90 90 ILE HA H 90 3.710 3.536 0.174 1
1 1033 . 13 1 1 A 90 90 ILE C C 90 178.000 178.158 -0.158 1
1 1034 . 13 1 1 A 90 90 ILE CA C 90 64.700 65.090 -0.390 1
1 1035 . 13 1 1 A 90 90 ILE CB C 90 37.600 37.696 -0.096 1
1 1039 . 13 1 1 A 90 90 ILE N N 90 120.400 119.625 0.775 1
1 1040 . 13 1 1 A 91 91 PHE H H 91 8.180 8.636 -0.456 1
1 1041 . 13 1 1 A 91 91 PHE HA H 91 3.920 3.881 0.039 1
1 1049 . 13 1 1 A 91 91 PHE C C 91 177.200 177.251 -0.051 1
1 1050 . 13 1 1 A 91 91 PHE CA C 91 61.600 61.365 0.235 1
1 1051 . 13 1 1 A 91 91 PHE CB C 91 39.600 39.239 0.361 1
1 1057 . 13 1 1 A 91 91 PHE N N 91 120.100 120.010 0.090 1
1 1058 . 13 1 1 A 92 92 GLU H H 92 8.470 8.186 0.284 1
1 1059 . 13 1 1 A 92 92 GLU HA H 92 3.620 3.954 -0.334 1
1 1064 . 13 1 1 A 92 92 GLU C C 92 179.100 179.290 -0.190 1
1 1065 . 13 1 1 A 92 92 GLU CA C 92 60.100 59.108 0.992 1
1 1066 . 13 1 1 A 92 92 GLU CB C 92 29.300 29.483 -0.183 1
1 1068 . 13 1 1 A 92 92 GLU N N 92 118.800 119.476 -0.676 1
1 1069 . 13 1 1 A 93 93 LEU H H 93 7.980 8.475 -0.495 1
1 1070 . 13 1 1 A 93 93 LEU HA H 93 4.000 3.944 0.056 1
1 1080 . 13 1 1 A 93 93 LEU C C 93 180.600 179.161 1.439 1
1 1081 . 13 1 1 A 93 93 LEU CA C 93 58.300 57.953 0.347 1
1 1082 . 13 1 1 A 93 93 LEU CB C 93 41.700 41.152 0.548 1
1 1086 . 13 1 1 A 93 93 LEU N N 93 120.800 120.159 0.641 1
1 1087 . 13 1 1 A 94 94 LYS H H 94 8.340 8.404 -0.064 1
1 1088 . 13 1 1 A 94 94 LYS HA H 94 3.990 3.878 0.112 1
1 1097 . 13 1 1 A 94 94 LYS C C 94 179.600 178.874 0.726 1
1 1098 . 13 1 1 A 94 94 LYS CA C 94 59.200 59.435 -0.235 1
1 1099 . 13 1 1 A 94 94 LYS CB C 94 33.100 32.059 1.041 1
1 1103 . 13 1 1 A 94 94 LYS N N 94 119.300 120.375 -1.075 1
1 1104 . 13 1 1 A 95 95 THR H H 95 8.100 7.965 0.135 1
1 1105 . 13 1 1 A 95 95 THR HA H 95 3.640 3.404 0.236 1
1 1110 . 13 1 1 A 95 95 THR C C 95 176.800 176.742 0.058 1
1 1111 . 13 1 1 A 95 95 THR CA C 95 63.800 65.335 -1.535 1
1 1112 . 13 1 1 A 95 95 THR CB C 95 68.900 67.979 0.921 1
1 1114 . 13 1 1 A 95 95 THR N N 95 109.700 114.113 -4.413 1
1 1115 . 13 1 1 A 96 96 ARG H H 96 7.570 8.166 -0.596 1
1 1116 . 13 1 1 A 96 96 ARG HA H 96 4.060 4.022 0.038 1
1 1124 . 13 1 1 A 96 96 ARG C C 96 178.300 178.949 -0.649 1
1 1125 . 13 1 1 A 96 96 ARG CA C 96 59.500 59.880 -0.380 1
1 1126 . 13 1 1 A 96 96 ARG CB C 96 29.800 29.747 0.053 1
1 1130 . 13 1 1 A 96 96 ARG N N 96 123.200 121.613 1.587 1
1 1132 . 13 1 1 A 97 97 ALA H H 97 7.520 8.112 -0.592 1
1 1133 . 13 1 1 A 97 97 ALA HA H 97 4.130 4.034 0.096 1
1 1137 . 13 1 1 A 97 97 ALA C C 97 179.500 180.812 -1.312 1
1 1138 . 13 1 1 A 97 97 ALA CA C 97 54.100 54.958 -0.858 1
1 1139 . 13 1 1 A 97 97 ALA CB C 97 18.200 17.850 0.350 1
1 1140 . 13 1 1 A 97 97 ALA N N 97 119.700 121.725 -2.025 1
1 1141 . 13 1 1 A 98 98 LEU H H 98 7.370 7.895 -0.525 1
1 1142 . 13 1 1 A 98 98 LEU HA H 98 4.070 4.013 0.057 1
1 1152 . 13 1 1 A 98 98 LEU C C 98 178.800 178.480 0.320 1
1 1153 . 13 1 1 A 98 98 LEU CA C 98 56.500 57.842 -1.342 1
1 1154 . 13 1 1 A 98 98 LEU CB C 98 41.700 41.281 0.419 1
1 1158 . 13 1 1 A 98 98 LEU N N 98 118.300 120.775 -2.475 1
1 1159 . 13 1 1 A 99 99 ALA H H 99 7.940 7.670 0.270 1
1 1160 . 13 1 1 A 99 99 ALA HA H 99 4.250 4.146 0.104 1
1 1164 . 13 1 1 A 99 99 ALA C C 99 179.100 179.364 -0.264 1
1 1165 . 13 1 1 A 99 99 ALA CA C 99 53.600 55.099 -1.499 1
1 1166 . 13 1 1 A 99 99 ALA CB C 99 18.600 18.192 0.408 1
1 1167 . 13 1 1 A 99 99 ALA N N 99 122.100 121.099 1.001 1
1 1168 . 13 1 1 A 100 100 ARG H H 100 7.840 8.316 -0.476 1
1 1169 . 13 1 1 A 100 100 ARG HA H 100 4.210 4.078 0.132 1
1 1176 . 13 1 1 A 100 100 ARG C C 100 177.100 175.898 1.202 1
1 1177 . 13 1 1 A 100 100 ARG CA C 100 57.100 58.615 -1.515 1
1 1178 . 13 1 1 A 100 100 ARG CB C 100 30.300 29.880 0.420 1
1 1181 . 13 1 1 A 100 100 ARG N N 100 117.900 118.332 -0.432 1
1 1182 . 13 1 1 A 101 101 LEU H H 101 7.890 8.192 -0.302 1
1 1183 . 13 1 1 A 101 101 LEU HA H 101 4.240 4.184 0.056 1
1 1193 . 13 1 1 A 101 101 LEU C C 101 177.800 175.846 1.954 1
1 1194 . 13 1 1 A 101 101 LEU CA C 101 55.700 57.037 -1.337 1
1 1195 . 13 1 1 A 101 101 LEU CB C 101 41.900 40.818 1.082 1
1 1199 . 13 1 1 A 101 101 LEU N N 101 120.800 119.252 1.548 1
1 1200 . 13 1 1 A 102 102 GLU H H 102 8.040 8.678 -0.638 1
1 1201 . 13 1 1 A 102 102 GLU HA H 102 4.240 4.419 -0.179 1
1 1206 . 13 1 1 A 102 102 GLU C C 102 176.500 175.836 0.664 1
1 1207 . 13 1 1 A 102 102 GLU CA C 102 56.600 55.118 1.482 1
1 1208 . 13 1 1 A 102 102 GLU CB C 102 30.000 29.768 0.232 1
1 1210 . 13 1 1 A 102 102 GLU N N 102 120.100 122.058 -1.958 1
1 1211 . 13 1 1 A 103 103 HIS H H 103 8.200 7.878 0.322 1
1 1212 . 13 1 1 A 103 103 HIS HA H 103 4.540 4.294 0.246 1
1 1216 . 13 1 1 A 103 103 HIS CA C 103 56.100 56.648 -0.548 1
1 1217 . 13 1 1 A 103 103 HIS CB C 103 29.900 28.438 1.462 1
1 1218 . 13 1 1 A 103 103 HIS N N 103 119.200 116.653 2.547 1
1 1219 . 13 1 1 A 107 107 HIS HA H 107 4.560 4.885 -0.325 1
1 1222 . 13 1 1 A 107 107 HIS C C 107 173.800 174.868 -1.068 1
1 1223 . 13 1 1 A 107 107 HIS CA C 107 55.800 55.242 0.558 1
1 1224 . 13 1 1 A 107 107 HIS CB C 107 29.900 32.064 -2.164 1
1 1 . 14 1 1 A 4 4 GLN HA H 4 4.360 4.021 0.339 1
1 7 . 14 1 1 A 4 4 GLN C C 4 176.100 175.646 0.454 1
1 8 . 14 1 1 A 4 4 GLN CA C 4 56.000 57.848 -1.848 1
1 9 . 14 1 1 A 4 4 GLN CB C 4 29.300 29.032 0.268 1
1 11 . 14 1 1 A 5 5 THR H H 5 8.280 8.408 -0.128 1
1 12 . 14 1 1 A 5 5 THR HA H 5 4.320 4.244 0.076 1
1 17 . 14 1 1 A 5 5 THR C C 5 174.300 173.565 0.735 1
1 18 . 14 1 1 A 5 5 THR CA C 5 62.200 62.574 -0.374 1
1 19 . 14 1 1 A 5 5 THR CB C 5 69.600 68.931 0.669 1
1 21 . 14 1 1 A 5 5 THR N N 5 115.700 114.496 1.204 1
1 22 . 14 1 1 A 6 6 CYS H H 6 8.410 8.224 0.186 1
1 23 . 14 1 1 A 6 6 CYS HA H 6 4.540 4.597 -0.057 1
1 26 . 14 1 1 A 6 6 CYS C C 6 174.400 174.484 -0.084 1
1 27 . 14 1 1 A 6 6 CYS CA C 6 58.200 59.024 -0.824 1
1 28 . 14 1 1 A 6 6 CYS CB C 6 27.800 28.425 -0.625 1
1 29 . 14 1 1 A 6 6 CYS N N 6 121.900 122.914 -1.014 1
1 30 . 14 1 1 A 7 7 VAL H H 7 8.290 8.466 -0.176 1
1 31 . 14 1 1 A 7 7 VAL HA H 7 4.090 4.289 -0.199 1
1 39 . 14 1 1 A 7 7 VAL C C 7 176.100 175.376 0.724 1
1 40 . 14 1 1 A 7 7 VAL CA C 7 62.400 61.869 0.531 1
1 41 . 14 1 1 A 7 7 VAL CB C 7 32.500 32.669 -0.169 1
1 44 . 14 1 1 A 7 7 VAL N N 7 122.700 122.216 0.484 1
1 45 . 14 1 1 A 8 8 GLU H H 8 8.510 8.569 -0.059 1
1 46 . 14 1 1 A 8 8 GLU HA H 8 4.240 4.405 -0.165 1
1 51 . 14 1 1 A 8 8 GLU C C 8 176.100 176.074 0.026 1
1 52 . 14 1 1 A 8 8 GLU CA C 8 56.900 56.757 0.143 1
1 53 . 14 1 1 A 8 8 GLU CB C 8 30.100 30.131 -0.031 1
1 55 . 14 1 1 A 8 8 GLU N N 8 124.300 125.387 -1.087 1
1 56 . 14 1 1 A 9 9 ASN H H 9 8.390 8.750 -0.360 1
1 57 . 14 1 1 A 9 9 ASN HA H 9 4.650 5.199 -0.549 1
1 62 . 14 1 1 A 9 9 ASN C C 9 174.900 174.843 0.057 1
1 63 . 14 1 1 A 9 9 ASN CA C 9 53.400 52.326 1.074 1
1 64 . 14 1 1 A 9 9 ASN CB C 9 39.000 39.420 -0.420 1
1 66 . 14 1 1 A 9 9 ASN N N 9 119.300 124.589 -5.289 1
1 68 . 14 1 1 A 10 10 GLU H H 10 8.330 9.112 -0.782 1
1 69 . 14 1 1 A 10 10 GLU HA H 10 4.250 4.376 -0.126 1
1 74 . 14 1 1 A 10 10 GLU C C 10 176.400 176.169 0.231 1
1 75 . 14 1 1 A 10 10 GLU CA C 10 56.800 57.538 -0.738 1
1 76 . 14 1 1 A 10 10 GLU CB C 10 30.200 31.016 -0.816 1
1 78 . 14 1 1 A 10 10 GLU N N 10 121.400 123.318 -1.918 1
1 79 . 14 1 1 A 11 11 VAL H H 11 8.250 7.353 0.897 1
1 80 . 14 1 1 A 11 11 VAL HA H 11 4.090 4.680 -0.590 1
1 88 . 14 1 1 A 11 11 VAL C C 11 176.100 174.878 1.222 1
1 89 . 14 1 1 A 11 11 VAL CA C 11 62.400 60.491 1.909 1
1 90 . 14 1 1 A 11 11 VAL CB C 11 32.500 34.041 -1.541 1
1 93 . 14 1 1 A 11 11 VAL N N 11 121.900 115.158 6.742 1
1 94 . 14 1 1 A 12 12 CYS H H 12 8.450 8.969 -0.519 1
1 95 . 14 1 1 A 12 12 CYS HA H 12 4.500 5.122 -0.622 1
1 98 . 14 1 1 A 12 12 CYS C C 12 174.400 174.381 0.019 1
1 99 . 14 1 1 A 12 12 CYS CA C 12 58.300 58.382 -0.082 1
1 100 . 14 1 1 A 12 12 CYS CB C 12 28.000 29.828 -1.828 1
1 101 . 14 1 1 A 12 12 CYS N N 12 123.800 123.552 0.248 1
1 102 . 14 1 1 A 13 13 GLU H H 13 8.560 8.795 -0.235 1
1 103 . 14 1 1 A 13 13 GLU HA H 13 4.260 4.297 -0.037 1
1 108 . 14 1 1 A 13 13 GLU C C 13 176.100 175.698 0.402 1
1 109 . 14 1 1 A 13 13 GLU CA C 13 56.700 56.145 0.555 1
1 110 . 14 1 1 A 13 13 GLU CB C 13 30.200 29.617 0.583 1
1 112 . 14 1 1 A 13 13 GLU N N 13 124.100 125.095 -0.995 1
1 113 . 14 1 1 A 14 14 ALA H H 14 8.400 7.963 0.437 1
1 114 . 14 1 1 A 14 14 ALA HA H 14 4.350 3.881 0.469 1
1 118 . 14 1 1 A 14 14 ALA C C 14 177.700 176.208 1.492 1
1 119 . 14 1 1 A 14 14 ALA CA C 14 52.600 53.130 -0.530 1
1 120 . 14 1 1 A 14 14 ALA CB C 14 19.100 16.873 2.227 1
1 121 . 14 1 1 A 14 14 ALA N N 14 125.400 120.938 4.462 1
1 122 . 14 1 1 A 15 15 CYS H H 15 8.370 7.809 0.561 1
1 123 . 14 1 1 A 15 15 CYS HA H 15 4.490 4.610 -0.120 1
1 126 . 14 1 1 A 15 15 CYS C C 15 175.100 174.228 0.872 1
1 127 . 14 1 1 A 15 15 CYS CA C 15 58.400 58.813 -0.413 1
1 128 . 14 1 1 A 15 15 CYS CB C 15 28.000 28.285 -0.285 1
1 129 . 14 1 1 A 15 15 CYS N N 15 118.500 115.095 3.405 1
1 130 . 14 1 1 A 16 16 GLY H H 16 8.480 8.295 0.185 1
1 131 . 14 1 1 A 16 16 GLY HA2 H 16 3.970 4.178 -0.208 1
1 132 . 14 1 1 A 16 16 GLY HA3 H 16 3.970 4.180 -0.210 1
1 133 . 14 1 1 A 16 16 GLY C C 16 174.100 173.150 0.950 1
1 134 . 14 1 1 A 16 16 GLY CA C 16 45.400 46.144 -0.744 1
1 135 . 14 1 1 A 16 16 GLY N N 16 111.300 112.401 -1.101 1
1 136 . 14 1 1 A 17 17 CYS H H 17 8.300 8.568 -0.268 1
1 137 . 14 1 1 A 17 17 CYS HA H 17 4.500 4.361 0.139 1
1 140 . 14 1 1 A 17 17 CYS C C 17 174.500 174.801 -0.301 1
1 141 . 14 1 1 A 17 17 CYS CA C 17 58.300 59.654 -1.354 1
1 142 . 14 1 1 A 17 17 CYS CB C 17 28.100 27.358 0.742 1
1 143 . 14 1 1 A 17 17 CYS N N 17 118.900 121.719 -2.819 1
1 144 . 14 1 1 A 18 18 ALA H H 18 8.520 8.880 -0.360 1
1 145 . 14 1 1 A 18 18 ALA HA H 18 4.260 3.851 0.409 1
1 149 . 14 1 1 A 18 18 ALA C C 18 178.000 177.435 0.565 1
1 150 . 14 1 1 A 18 18 ALA CA C 18 52.900 52.791 0.109 1
1 151 . 14 1 1 A 18 18 ALA CB C 18 19.000 17.740 1.260 1
1 152 . 14 1 1 A 18 18 ALA N N 18 126.800 122.947 3.853 1
1 153 . 14 1 1 A 19 19 GLY H H 19 8.310 8.034 0.276 1
1 154 . 14 1 1 A 19 19 GLY HA2 H 19 3.890 3.861 0.029 1
1 155 . 14 1 1 A 19 19 GLY HA3 H 19 3.890 3.891 -0.001 1
1 156 . 14 1 1 A 19 19 GLY C C 19 174.000 172.668 1.332 1
1 157 . 14 1 1 A 19 19 GLY CA C 19 45.000 45.245 -0.245 1
1 158 . 14 1 1 A 19 19 GLY N N 19 108.100 105.548 2.552 1
1 159 . 14 1 1 A 20 20 GLU H H 20 8.180 8.272 -0.092 1
1 160 . 14 1 1 A 20 20 GLU HA H 20 4.270 4.236 0.034 1
1 165 . 14 1 1 A 20 20 GLU C C 20 176.400 177.876 -1.476 1
1 166 . 14 1 1 A 20 20 GLU CA C 20 56.200 56.949 -0.749 1
1 167 . 14 1 1 A 20 20 GLU CB C 20 30.100 31.293 -1.193 1
1 169 . 14 1 1 A 20 20 GLU N N 20 120.500 121.844 -1.344 1
1 170 . 14 1 1 A 21 21 ILE H H 21 8.160 8.614 -0.454 1
1 171 . 14 1 1 A 21 21 ILE HA H 21 4.020 3.836 0.184 1
1 181 . 14 1 1 A 21 21 ILE C C 21 176.400 177.308 -0.908 1
1 182 . 14 1 1 A 21 21 ILE CA C 21 61.200 65.124 -3.924 1
1 183 . 14 1 1 A 21 21 ILE CB C 21 38.200 37.832 0.368 1
1 187 . 14 1 1 A 21 21 ILE N N 21 122.000 126.317 -4.317 1
1 188 . 14 1 1 A 22 22 GLY H H 22 8.260 8.064 0.196 1
1 189 . 14 1 1 A 22 22 GLY HA2 H 22 3.740 3.996 -0.256 1
1 190 . 14 1 1 A 22 22 GLY HA3 H 22 3.880 4.001 -0.121 1
1 191 . 14 1 1 A 22 22 GLY C C 22 173.200 174.153 -0.953 1
1 192 . 14 1 1 A 22 22 GLY CA C 22 45.100 45.758 -0.658 1
1 193 . 14 1 1 A 22 22 GLY N N 22 112.500 109.066 3.434 1
1 194 . 14 1 1 A 23 23 PHE H H 23 7.890 8.674 -0.784 1
1 195 . 14 1 1 A 23 23 PHE HA H 23 4.550 4.703 -0.153 1
1 202 . 14 1 1 A 23 23 PHE CA C 23 58.100 58.693 -0.593 1
1 203 . 14 1 1 A 23 23 PHE CB C 23 41.200 41.487 -0.287 1
1 206 . 14 1 1 A 23 23 PHE N N 23 119.700 125.044 -5.344 1
1 207 . 14 1 1 A 24 24 ILE HA H 24 3.970 3.768 0.202 1
1 217 . 14 1 1 A 24 24 ILE CA C 24 62.400 63.534 -1.134 1
1 218 . 14 1 1 A 24 24 ILE CB C 24 37.700 37.607 0.093 1
1 222 . 14 1 1 A 25 25 ILE H H 25 8.950 7.908 1.042 1
1 223 . 14 1 1 A 25 25 ILE HA H 25 3.740 3.787 -0.047 1
1 233 . 14 1 1 A 25 25 ILE C C 25 175.200 175.094 0.106 1
1 234 . 14 1 1 A 25 25 ILE CA C 25 62.700 62.691 0.009 1
1 235 . 14 1 1 A 25 25 ILE CB C 25 38.200 35.631 2.569 1
1 239 . 14 1 1 A 25 25 ILE N N 25 124.800 120.671 4.129 1
1 240 . 14 1 1 A 26 26 ARG H H 26 8.040 8.361 -0.321 1
1 241 . 14 1 1 A 26 26 ARG HA H 26 4.140 3.998 0.142 1
1 248 . 14 1 1 A 26 26 ARG C C 26 175.900 175.504 0.396 1
1 249 . 14 1 1 A 26 26 ARG CA C 26 55.300 57.345 -2.045 1
1 250 . 14 1 1 A 26 26 ARG CB C 26 31.100 28.017 3.083 1
1 253 . 14 1 1 A 26 26 ARG N N 26 128.100 115.681 12.419 1
1 254 . 14 1 1 A 27 27 GLU H H 27 8.560 8.420 0.140 1
1 255 . 14 1 1 A 27 27 GLU HA H 27 4.030 3.793 0.237 1
1 260 . 14 1 1 A 27 27 GLU C C 27 176.300 176.337 -0.037 1
1 261 . 14 1 1 A 27 27 GLU CA C 27 57.000 57.246 -0.246 1
1 262 . 14 1 1 A 27 27 GLU CB C 27 30.000 27.872 2.128 1
1 264 . 14 1 1 A 27 27 GLU N N 27 123.500 110.624 12.876 1
1 265 . 14 1 1 A 28 28 GLY H H 28 8.420 7.914 0.506 1
1 266 . 14 1 1 A 28 28 GLY HA2 H 28 4.050 3.957 0.093 1
1 267 . 14 1 1 A 28 28 GLY HA3 H 28 4.220 3.977 0.243 1
1 268 . 14 1 1 A 28 28 GLY C C 28 174.000 172.759 1.241 1
1 269 . 14 1 1 A 28 28 GLY CA C 28 45.400 44.711 0.689 1
1 270 . 14 1 1 A 28 28 GLY N N 28 108.300 107.792 0.508 1
1 271 . 14 1 1 A 29 29 ASP H H 29 8.690 8.592 0.098 1
1 272 . 14 1 1 A 29 29 ASP HA H 29 4.430 4.414 0.016 1
1 275 . 14 1 1 A 29 29 ASP C C 29 175.200 176.083 -0.883 1
1 276 . 14 1 1 A 29 29 ASP CA C 29 56.300 55.109 1.191 1
1 277 . 14 1 1 A 29 29 ASP CB C 29 40.300 40.371 -0.071 1
1 278 . 14 1 1 A 29 29 ASP N N 29 119.800 119.540 0.260 1
1 279 . 14 1 1 A 30 30 ASP H H 30 8.630 8.762 -0.132 1
1 280 . 14 1 1 A 30 30 ASP HA H 30 4.260 4.514 -0.254 1
1 283 . 14 1 1 A 30 30 ASP C C 30 174.300 174.771 -0.471 1
1 284 . 14 1 1 A 30 30 ASP CA C 30 52.600 54.759 -2.159 1
1 285 . 14 1 1 A 30 30 ASP CB C 30 39.200 39.934 -0.734 1
1 286 . 14 1 1 A 30 30 ASP N N 30 114.900 119.727 -4.827 1
1 287 . 14 1 1 A 31 31 VAL H H 31 7.550 8.269 -0.719 1
1 288 . 14 1 1 A 31 31 VAL HA H 31 5.300 4.933 0.367 1
1 296 . 14 1 1 A 31 31 VAL C C 31 175.800 173.679 2.121 1
1 297 . 14 1 1 A 31 31 VAL CA C 31 60.700 59.745 0.955 1
1 298 . 14 1 1 A 31 31 VAL CB C 31 35.000 35.206 -0.206 1
1 301 . 14 1 1 A 31 31 VAL N N 31 120.500 123.917 -3.417 1
1 302 . 14 1 1 A 32 32 ALA H H 32 9.580 9.089 0.491 1
1 303 . 14 1 1 A 32 32 ALA HA H 32 5.030 5.319 -0.289 1
1 307 . 14 1 1 A 32 32 ALA C C 32 175.800 176.025 -0.225 1
1 308 . 14 1 1 A 32 32 ALA CA C 32 50.000 50.204 -0.204 1
1 309 . 14 1 1 A 32 32 ALA CB C 32 22.800 22.894 -0.094 1
1 310 . 14 1 1 A 32 32 ALA N N 32 130.500 130.078 0.422 1
1 311 . 14 1 1 A 33 33 GLU H H 33 9.270 8.899 0.371 1
1 312 . 14 1 1 A 33 33 GLU HA H 33 5.140 5.075 0.065 1
1 317 . 14 1 1 A 33 33 GLU C C 33 175.900 175.522 0.378 1
1 318 . 14 1 1 A 33 33 GLU CA C 33 55.300 55.413 -0.113 1
1 319 . 14 1 1 A 33 33 GLU CB C 33 31.500 32.405 -0.905 1
1 321 . 14 1 1 A 33 33 GLU N N 33 124.500 119.905 4.595 1
1 322 . 14 1 1 A 34 34 VAL H H 34 9.140 8.904 0.236 1
1 323 . 14 1 1 A 34 34 VAL HA H 34 4.580 5.034 -0.454 1
1 331 . 14 1 1 A 34 34 VAL C C 34 174.300 174.525 -0.225 1
1 332 . 14 1 1 A 34 34 VAL CA C 34 60.800 60.645 0.155 1
1 333 . 14 1 1 A 34 34 VAL CB C 34 35.700 34.873 0.827 1
1 336 . 14 1 1 A 34 34 VAL N N 34 124.700 123.257 1.443 1
1 337 . 14 1 1 A 35 35 SER H H 35 8.450 9.165 -0.715 1
1 338 . 14 1 1 A 35 35 SER HA H 35 5.060 5.538 -0.478 1
1 341 . 14 1 1 A 35 35 SER C C 35 172.100 172.468 -0.368 1
1 342 . 14 1 1 A 35 35 SER CA C 35 56.900 56.893 0.007 1
1 343 . 14 1 1 A 35 35 SER CB C 35 64.800 65.266 -0.466 1
1 344 . 14 1 1 A 35 35 SER N N 35 122.100 122.927 -0.827 1
1 345 . 14 1 1 A 36 36 LEU H H 36 8.540 8.779 -0.239 1
1 346 . 14 1 1 A 36 36 LEU HA H 36 4.570 5.347 -0.777 1
1 356 . 14 1 1 A 36 36 LEU C C 36 174.200 174.027 0.173 1
1 357 . 14 1 1 A 36 36 LEU CA C 36 52.600 52.684 -0.084 1
1 358 . 14 1 1 A 36 36 LEU CB C 36 45.600 45.809 -0.209 1
1 362 . 14 1 1 A 36 36 LEU N N 36 123.600 128.448 -4.848 1
1 363 . 14 1 1 A 37 37 PHE H H 37 8.400 9.146 -0.746 1
1 364 . 14 1 1 A 37 37 PHE HA H 37 5.300 5.589 -0.289 1
1 369 . 14 1 1 A 37 37 PHE C C 37 175.600 176.347 -0.747 1
1 370 . 14 1 1 A 37 37 PHE CA C 37 56.300 55.547 0.753 1
1 371 . 14 1 1 A 37 37 PHE CB C 37 42.000 42.126 -0.126 1
1 374 . 14 1 1 A 37 37 PHE N N 37 118.300 125.416 -7.116 1
1 375 . 14 1 1 A 38 38 GLY H H 38 8.340 8.277 0.063 1
1 376 . 14 1 1 A 38 38 GLY HA2 H 38 3.750 4.299 -0.549 1
1 377 . 14 1 1 A 38 38 GLY HA3 H 38 4.210 4.316 -0.106 1
1 378 . 14 1 1 A 38 38 GLY CA C 38 45.600 45.796 -0.196 1
1 379 . 14 1 1 A 38 38 GLY N N 38 109.300 109.690 -0.390 1
1 380 . 14 1 1 A 39 39 SER HA H 39 4.210 4.295 -0.085 1
1 383 . 14 1 1 A 39 39 SER C C 39 173.700 173.694 0.006 1
1 384 . 14 1 1 A 39 39 SER CA C 39 60.100 60.812 -0.712 1
1 385 . 14 1 1 A 39 39 SER CB C 39 63.900 62.950 0.950 1
1 386 . 14 1 1 A 40 40 ASP H H 40 7.670 8.112 -0.442 1
1 387 . 14 1 1 A 40 40 ASP HA H 40 4.810 4.637 0.173 1
1 390 . 14 1 1 A 40 40 ASP C C 40 175.500 177.252 -1.752 1
1 391 . 14 1 1 A 40 40 ASP CA C 40 52.900 54.427 -1.527 1
1 392 . 14 1 1 A 40 40 ASP CB C 40 41.300 42.528 -1.228 1
1 393 . 14 1 1 A 40 40 ASP N N 40 115.800 123.159 -7.359 1
1 394 . 14 1 1 A 41 41 LYS H H 41 8.260 8.553 -0.293 1
1 395 . 14 1 1 A 41 41 LYS HA H 41 3.780 3.975 -0.195 1
1 404 . 14 1 1 A 41 41 LYS C C 41 177.100 178.007 -0.907 1
1 405 . 14 1 1 A 41 41 LYS CA C 41 60.500 59.066 1.434 1
1 406 . 14 1 1 A 41 41 LYS CB C 41 33.400 31.991 1.409 1
1 410 . 14 1 1 A 41 41 LYS N N 41 120.200 126.270 -6.070 1
1 411 . 14 1 1 A 42 42 ALA H H 42 8.420 7.993 0.427 1
1 412 . 14 1 1 A 42 42 ALA HA H 42 4.180 4.166 0.014 1
1 416 . 14 1 1 A 42 42 ALA C C 42 181.900 179.731 2.169 1
1 417 . 14 1 1 A 42 42 ALA CA C 42 55.400 54.955 0.445 1
1 418 . 14 1 1 A 42 42 ALA CB C 42 17.700 18.096 -0.396 1
1 419 . 14 1 1 A 42 42 ALA N N 42 120.700 122.004 -1.304 1
1 420 . 14 1 1 A 43 43 HIS H H 43 8.490 7.919 0.571 1
1 421 . 14 1 1 A 43 43 HIS HA H 43 4.330 4.339 -0.009 1
1 424 . 14 1 1 A 43 43 HIS C C 43 178.800 177.203 1.597 1
1 425 . 14 1 1 A 43 43 HIS CA C 43 59.600 59.739 -0.139 1
1 426 . 14 1 1 A 43 43 HIS CB C 43 30.300 29.814 0.486 1
1 427 . 14 1 1 A 43 43 HIS N N 43 118.000 118.139 -0.139 1
1 428 . 14 1 1 A 44 44 LEU H H 44 8.340 7.979 0.361 1
1 429 . 14 1 1 A 44 44 LEU HA H 44 3.750 3.582 0.168 1
1 439 . 14 1 1 A 44 44 LEU C C 44 178.500 179.105 -0.605 1
1 440 . 14 1 1 A 44 44 LEU CA C 44 58.200 57.839 0.361 1
1 441 . 14 1 1 A 44 44 LEU CB C 44 42.100 41.267 0.833 1
1 445 . 14 1 1 A 44 44 LEU N N 44 121.500 119.067 2.433 1
1 446 . 14 1 1 A 45 45 GLU H H 45 8.880 8.103 0.777 1
1 447 . 14 1 1 A 45 45 GLU HA H 45 3.750 3.991 -0.241 1
1 452 . 14 1 1 A 45 45 GLU C C 45 180.200 180.024 0.176 1
1 453 . 14 1 1 A 45 45 GLU CA C 45 60.000 59.395 0.605 1
1 454 . 14 1 1 A 45 45 GLU CB C 45 29.000 29.148 -0.148 1
1 456 . 14 1 1 A 45 45 GLU N N 45 118.300 118.238 0.062 1
1 457 . 14 1 1 A 46 46 GLY H H 46 7.970 8.038 -0.068 1
1 458 . 14 1 1 A 46 46 GLY HA2 H 46 3.920 3.741 0.179 1
1 459 . 14 1 1 A 46 46 GLY HA3 H 46 3.920 3.751 0.169 1
1 460 . 14 1 1 A 46 46 GLY C C 46 176.500 175.943 0.557 1
1 461 . 14 1 1 A 46 46 GLY CA C 46 46.900 47.469 -0.569 1
1 462 . 14 1 1 A 46 46 GLY N N 46 108.100 109.189 -1.089 1
1 463 . 14 1 1 A 47 47 LYS H H 47 7.690 7.524 0.166 1
1 464 . 14 1 1 A 47 47 LYS HA H 47 4.320 4.293 0.027 1
1 473 . 14 1 1 A 47 47 LYS C C 47 179.400 179.345 0.055 1
1 474 . 14 1 1 A 47 47 LYS CA C 47 58.400 59.209 -0.809 1
1 475 . 14 1 1 A 47 47 LYS CB C 47 32.100 31.765 0.335 1
1 479 . 14 1 1 A 47 47 LYS N N 47 122.400 122.410 -0.010 1
1 480 . 14 1 1 A 48 48 LEU H H 48 8.550 7.874 0.676 1
1 481 . 14 1 1 A 48 48 LEU HA H 48 3.980 3.819 0.161 1
1 491 . 14 1 1 A 48 48 LEU C C 48 178.300 178.284 0.016 1
1 492 . 14 1 1 A 48 48 LEU CA C 48 57.900 57.559 0.341 1
1 493 . 14 1 1 A 48 48 LEU CB C 48 40.800 41.026 -0.226 1
1 497 . 14 1 1 A 48 48 LEU N N 48 120.600 121.936 -1.336 1
1 498 . 14 1 1 A 49 49 ALA H H 49 7.810 8.154 -0.344 1
1 499 . 14 1 1 A 49 49 ALA HA H 49 4.000 3.996 0.004 1
1 503 . 14 1 1 A 49 49 ALA C C 49 180.400 180.033 0.367 1
1 504 . 14 1 1 A 49 49 ALA CA C 49 55.600 55.584 0.016 1
1 505 . 14 1 1 A 49 49 ALA CB C 49 17.900 18.298 -0.398 1
1 506 . 14 1 1 A 49 49 ALA N N 49 120.000 120.183 -0.183 1
1 507 . 14 1 1 A 50 50 GLU H H 50 7.520 7.869 -0.349 1
1 508 . 14 1 1 A 50 50 GLU HA H 50 4.130 4.088 0.042 1
1 513 . 14 1 1 A 50 50 GLU C C 50 179.600 179.270 0.330 1
1 514 . 14 1 1 A 50 50 GLU CA C 50 59.200 59.081 0.119 1
1 515 . 14 1 1 A 50 50 GLU CB C 50 29.800 29.599 0.201 1
1 517 . 14 1 1 A 50 50 GLU N N 50 117.300 118.686 -1.386 1
1 518 . 14 1 1 A 51 51 TYR H H 51 7.860 8.137 -0.277 1
1 519 . 14 1 1 A 51 51 TYR HA H 51 3.900 4.451 -0.551 1
1 526 . 14 1 1 A 51 51 TYR C C 51 177.900 178.409 -0.509 1
1 527 . 14 1 1 A 51 51 TYR CA C 51 62.400 60.795 1.605 1
1 528 . 14 1 1 A 51 51 TYR CB C 51 38.200 38.388 -0.188 1
1 533 . 14 1 1 A 51 51 TYR N N 51 120.300 119.000 1.300 1
1 534 . 14 1 1 A 52 52 ILE H H 52 8.590 8.098 0.492 1
1 535 . 14 1 1 A 52 52 ILE HA H 52 3.420 3.581 -0.161 1
1 545 . 14 1 1 A 52 52 ILE C C 52 177.400 178.098 -0.698 1
1 546 . 14 1 1 A 52 52 ILE CA C 52 66.200 65.191 1.009 1
1 547 . 14 1 1 A 52 52 ILE CB C 52 38.200 38.101 0.099 1
1 551 . 14 1 1 A 52 52 ILE N N 52 120.100 120.558 -0.458 1
1 552 . 14 1 1 A 53 53 SER H H 53 7.860 7.959 -0.099 1
1 553 . 14 1 1 A 53 53 SER HA H 53 4.080 4.153 -0.073 1
1 556 . 14 1 1 A 53 53 SER C C 53 177.700 177.584 0.116 1
1 557 . 14 1 1 A 53 53 SER CA C 53 61.800 61.684 0.116 1
1 558 . 14 1 1 A 53 53 SER CB C 53 62.600 63.144 -0.544 1
1 559 . 14 1 1 A 53 53 SER N N 53 113.100 116.006 -2.906 1
1 560 . 14 1 1 A 54 54 LEU H H 54 7.610 8.510 -0.900 1
1 561 . 14 1 1 A 54 54 LEU HA H 54 4.090 4.091 -0.001 1
1 571 . 14 1 1 A 54 54 LEU C C 54 178.600 179.156 -0.556 1
1 572 . 14 1 1 A 54 54 LEU CA C 54 58.000 57.581 0.419 1
1 573 . 14 1 1 A 54 54 LEU CB C 54 42.200 41.467 0.733 1
1 577 . 14 1 1 A 54 54 LEU N N 54 121.200 121.348 -0.148 1
1 578 . 14 1 1 A 55 55 ALA H H 55 8.640 8.530 0.110 1
1 579 . 14 1 1 A 55 55 ALA HA H 55 3.860 4.005 -0.145 1
1 583 . 14 1 1 A 55 55 ALA C C 55 179.100 179.747 -0.647 1
1 584 . 14 1 1 A 55 55 ALA CA C 55 56.200 55.411 0.789 1
1 585 . 14 1 1 A 55 55 ALA CB C 55 19.000 18.316 0.684 1
1 586 . 14 1 1 A 55 55 ALA N N 55 121.900 121.938 -0.038 1
1 587 . 14 1 1 A 56 56 LYS H H 56 8.120 8.491 -0.371 1
1 588 . 14 1 1 A 56 56 LYS HA H 56 4.220 4.053 0.167 1
1 597 . 14 1 1 A 56 56 LYS C C 56 178.800 179.068 -0.268 1
1 598 . 14 1 1 A 56 56 LYS CA C 56 58.300 59.552 -1.252 1
1 599 . 14 1 1 A 56 56 LYS CB C 56 32.900 32.347 0.553 1
1 603 . 14 1 1 A 56 56 LYS N N 56 115.600 118.052 -2.452 1
1 604 . 14 1 1 A 57 57 GLN H H 57 7.590 7.623 -0.033 1
1 605 . 14 1 1 A 57 57 GLN HA H 57 4.010 4.159 -0.149 1
1 612 . 14 1 1 A 57 57 GLN C C 57 178.300 178.528 -0.228 1
1 613 . 14 1 1 A 57 57 GLN CA C 57 58.400 58.754 -0.354 1
1 614 . 14 1 1 A 57 57 GLN CB C 57 28.600 28.247 0.353 1
1 617 . 14 1 1 A 57 57 GLN N N 57 117.900 119.589 -1.689 1
1 619 . 14 1 1 A 58 58 VAL H H 58 7.650 7.835 -0.185 1
1 620 . 14 1 1 A 58 58 VAL HA H 58 3.750 3.782 -0.032 1
1 628 . 14 1 1 A 58 58 VAL C C 58 176.400 175.846 0.554 1
1 629 . 14 1 1 A 58 58 VAL CA C 58 65.500 66.003 -0.503 1
1 630 . 14 1 1 A 58 58 VAL CB C 58 32.000 32.131 -0.131 1
1 633 . 14 1 1 A 58 58 VAL N N 58 120.200 119.930 0.270 1
1 634 . 14 1 1 A 59 59 TYR H H 59 8.700 8.485 0.215 1
1 635 . 14 1 1 A 59 59 TYR HA H 59 5.040 4.901 0.139 1
1 642 . 14 1 1 A 59 59 TYR C C 59 174.100 176.305 -2.205 1
1 643 . 14 1 1 A 59 59 TYR CA C 59 55.500 56.969 -1.469 1
1 644 . 14 1 1 A 59 59 TYR CB C 59 40.500 41.968 -1.468 1
1 649 . 14 1 1 A 59 59 TYR N N 59 120.400 119.517 0.883 1
1 650 . 14 1 1 A 60 60 ALA H H 60 8.900 8.282 0.618 1
1 651 . 14 1 1 A 60 60 ALA HA H 60 4.230 3.892 0.338 1
1 655 . 14 1 1 A 60 60 ALA CA C 60 55.400 54.850 0.550 1
1 656 . 14 1 1 A 60 60 ALA CB C 60 18.100 18.696 -0.596 1
1 657 . 14 1 1 A 60 60 ALA N N 60 131.000 128.850 2.150 1
1 658 . 14 1 1 A 61 61 ASN H H 61 5.430 8.305 -2.875 1
1 659 . 14 1 1 A 61 61 ASN HA H 61 4.760 4.913 -0.153 1
1 664 . 14 1 1 A 61 61 ASN C C 61 173.200 174.367 -1.167 1
1 665 . 14 1 1 A 61 61 ASN CA C 61 51.800 52.300 -0.500 1
1 666 . 14 1 1 A 61 61 ASN CB C 61 37.600 37.477 0.123 1
1 668 . 14 1 1 A 61 61 ASN N N 61 111.100 116.854 -5.754 1
1 670 . 14 1 1 A 62 62 VAL H H 62 6.870 8.533 -1.663 1
1 671 . 14 1 1 A 62 62 VAL HA H 62 3.730 4.493 -0.763 1
1 679 . 14 1 1 A 62 62 VAL C C 62 172.400 174.330 -1.930 1
1 680 . 14 1 1 A 62 62 VAL CA C 62 62.500 62.372 0.128 1
1 681 . 14 1 1 A 62 62 VAL CB C 62 31.300 32.957 -1.657 1
1 684 . 14 1 1 A 62 62 VAL N N 62 120.400 125.150 -4.750 1
1 685 . 14 1 1 A 63 63 GLU H H 63 7.360 8.313 -0.953 1
1 686 . 14 1 1 A 63 63 GLU HA H 63 4.590 4.894 -0.304 1
1 691 . 14 1 1 A 63 63 GLU C C 63 174.500 175.186 -0.686 1
1 692 . 14 1 1 A 63 63 GLU CA C 63 54.000 54.821 -0.821 1
1 693 . 14 1 1 A 63 63 GLU CB C 63 32.700 32.627 0.073 1
1 695 . 14 1 1 A 63 63 GLU N N 63 126.500 127.117 -0.617 1
1 696 . 14 1 1 A 64 64 TYR H H 64 8.300 8.273 0.027 1
1 697 . 14 1 1 A 64 64 TYR HA H 64 5.400 5.139 0.261 1
1 704 . 14 1 1 A 64 64 TYR C C 64 173.400 172.738 0.662 1
1 705 . 14 1 1 A 64 64 TYR CA C 64 54.800 55.579 -0.779 1
1 706 . 14 1 1 A 64 64 TYR CB C 64 41.800 40.708 1.092 1
1 711 . 14 1 1 A 64 64 TYR N N 64 118.800 119.236 -0.436 1
1 712 . 14 1 1 A 65 65 GLU H H 65 8.470 8.301 0.169 1
1 713 . 14 1 1 A 65 65 GLU HA H 65 4.440 4.908 -0.468 1
1 718 . 14 1 1 A 65 65 GLU C C 65 173.800 174.779 -0.979 1
1 719 . 14 1 1 A 65 65 GLU CA C 65 54.600 54.902 -0.302 1
1 720 . 14 1 1 A 65 65 GLU CB C 65 35.000 34.419 0.581 1
1 722 . 14 1 1 A 65 65 GLU N N 65 121.300 119.203 2.097 1
1 723 . 14 1 1 A 66 66 VAL H H 66 8.780 9.023 -0.243 1
1 724 . 14 1 1 A 66 66 VAL HA H 66 4.600 4.908 -0.308 1
1 732 . 14 1 1 A 66 66 VAL C C 66 175.900 173.734 2.166 1
1 733 . 14 1 1 A 66 66 VAL CA C 66 60.800 59.611 1.189 1
1 734 . 14 1 1 A 66 66 VAL CB C 66 33.800 34.661 -0.861 1
1 737 . 14 1 1 A 66 66 VAL N N 66 126.000 121.704 4.296 1
1 738 . 14 1 1 A 67 67 ALA H H 67 8.400 8.420 -0.020 1
1 739 . 14 1 1 A 67 67 ALA HA H 67 4.390 4.629 -0.239 1
1 743 . 14 1 1 A 67 67 ALA CA C 67 51.100 50.017 1.083 1
1 744 . 14 1 1 A 67 67 ALA CB C 67 16.800 19.753 -2.953 1
1 745 . 14 1 1 A 67 67 ALA N N 67 132.400 131.485 0.915 1
1 746 . 14 1 1 A 68 68 PRO HA H 68 4.260 4.445 -0.185 1
1 753 . 14 1 1 A 68 68 PRO C C 68 176.400 175.913 0.487 1
1 754 . 14 1 1 A 68 68 PRO CA C 68 63.800 63.276 0.524 1
1 755 . 14 1 1 A 68 68 PRO CB C 68 31.800 32.128 -0.328 1
1 758 . 14 1 1 A 69 69 VAL H H 69 8.240 8.481 -0.241 1
1 759 . 14 1 1 A 69 69 VAL HA H 69 4.360 4.667 -0.307 1
1 767 . 14 1 1 A 69 69 VAL C C 69 175.500 174.854 0.646 1
1 768 . 14 1 1 A 69 69 VAL CA C 69 60.500 60.110 0.390 1
1 769 . 14 1 1 A 69 69 VAL CB C 69 34.200 35.717 -1.517 1
1 772 . 14 1 1 A 69 69 VAL N N 69 121.600 122.983 -1.383 1
1 773 . 14 1 1 A 70 70 ALA H H 70 8.630 8.526 0.104 1
1 774 . 14 1 1 A 70 70 ALA HA H 70 4.370 4.432 -0.062 1
1 778 . 14 1 1 A 70 70 ALA C C 70 178.100 177.794 0.306 1
1 779 . 14 1 1 A 70 70 ALA CA C 70 51.700 52.392 -0.692 1
1 780 . 14 1 1 A 70 70 ALA CB C 70 19.700 19.081 0.619 1
1 781 . 14 1 1 A 70 70 ALA N N 70 128.800 126.554 2.246 1
1 782 . 14 1 1 A 71 71 ASP H H 71 8.640 8.838 -0.198 1
1 783 . 14 1 1 A 71 71 ASP HA H 71 4.330 4.325 0.005 1
1 786 . 14 1 1 A 71 71 ASP C C 71 177.000 177.387 -0.387 1
1 787 . 14 1 1 A 71 71 ASP CA C 71 57.300 56.786 0.514 1
1 788 . 14 1 1 A 71 71 ASP CB C 71 40.300 40.740 -0.440 1
1 789 . 14 1 1 A 71 71 ASP N N 71 118.900 123.718 -4.818 1
1 790 . 14 1 1 A 72 72 ASN H H 72 8.100 7.665 0.435 1
1 791 . 14 1 1 A 72 72 ASN HA H 72 4.810 4.859 -0.049 1
1 796 . 14 1 1 A 72 72 ASN C C 72 175.300 175.336 -0.036 1
1 797 . 14 1 1 A 72 72 ASN CA C 72 51.900 53.338 -1.438 1
1 798 . 14 1 1 A 72 72 ASN CB C 72 37.400 39.310 -1.910 1
1 800 . 14 1 1 A 72 72 ASN N N 72 114.800 115.106 -0.306 1
1 802 . 14 1 1 A 73 73 ALA H H 73 7.580 7.066 0.514 1
1 803 . 14 1 1 A 73 73 ALA HA H 73 4.230 4.288 -0.058 1
1 807 . 14 1 1 A 73 73 ALA C C 73 176.300 177.283 -0.983 1
1 808 . 14 1 1 A 73 73 ALA CA C 73 53.200 52.243 0.957 1
1 809 . 14 1 1 A 73 73 ALA CB C 73 21.000 20.324 0.676 1
1 810 . 14 1 1 A 73 73 ALA N N 73 123.400 122.794 0.606 1
1 811 . 14 1 1 A 74 74 THR H H 74 8.220 8.558 -0.338 1
1 812 . 14 1 1 A 74 74 THR HA H 74 4.560 4.625 -0.065 1
1 817 . 14 1 1 A 74 74 THR C C 74 174.100 174.273 -0.173 1
1 818 . 14 1 1 A 74 74 THR CA C 74 60.200 63.146 -2.946 1
1 819 . 14 1 1 A 74 74 THR CB C 74 69.900 69.049 0.851 1
1 821 . 14 1 1 A 74 74 THR N N 74 104.600 115.574 -10.974 1
1 822 . 14 1 1 A 75 75 GLU H H 75 7.310 7.716 -0.406 1
1 823 . 14 1 1 A 75 75 GLU HA H 75 5.190 4.669 0.521 1
1 828 . 14 1 1 A 75 75 GLU C C 75 173.600 173.774 -0.174 1
1 829 . 14 1 1 A 75 75 GLU CA C 75 54.100 55.288 -1.188 1
1 830 . 14 1 1 A 75 75 GLU CB C 75 34.100 32.582 1.518 1
1 832 . 14 1 1 A 75 75 GLU N N 75 119.100 120.453 -1.353 1
1 833 . 14 1 1 A 76 76 LEU H H 76 8.400 8.334 0.066 1
1 834 . 14 1 1 A 76 76 LEU HA H 76 4.650 4.986 -0.336 1
1 844 . 14 1 1 A 76 76 LEU C C 76 174.100 174.151 -0.051 1
1 845 . 14 1 1 A 76 76 LEU CA C 76 54.200 54.366 -0.166 1
1 846 . 14 1 1 A 76 76 LEU CB C 76 47.400 45.939 1.461 1
1 850 . 14 1 1 A 76 76 LEU N N 76 122.600 123.481 -0.881 1
1 851 . 14 1 1 A 77 77 HIS H H 77 9.340 8.910 0.430 1
1 852 . 14 1 1 A 77 77 HIS HA H 77 5.440 5.358 0.082 1
1 855 . 14 1 1 A 77 77 HIS C C 77 172.700 173.481 -0.781 1
1 856 . 14 1 1 A 77 77 HIS CA C 77 54.400 54.223 0.177 1
1 857 . 14 1 1 A 77 77 HIS CB C 77 31.700 33.410 -1.710 1
1 858 . 14 1 1 A 77 77 HIS N N 77 123.500 125.548 -2.048 1
1 859 . 14 1 1 A 78 78 ALA H H 78 9.190 8.527 0.663 1
1 860 . 14 1 1 A 78 78 ALA HA H 78 5.620 5.204 0.416 1
1 864 . 14 1 1 A 78 78 ALA C C 78 175.600 175.018 0.582 1
1 865 . 14 1 1 A 78 78 ALA CA C 78 50.300 50.762 -0.462 1
1 866 . 14 1 1 A 78 78 ALA CB C 78 24.100 24.388 -0.288 1
1 867 . 14 1 1 A 78 78 ALA N N 78 124.800 128.980 -4.180 1
1 868 . 14 1 1 A 79 79 ARG H H 79 8.680 7.884 0.796 1
1 869 . 14 1 1 A 79 79 ARG HA H 79 5.230 5.092 0.138 1
1 874 . 14 1 1 A 79 79 ARG C C 79 173.900 174.801 -0.901 1
1 875 . 14 1 1 A 79 79 ARG CA C 79 55.300 54.333 0.967 1
1 876 . 14 1 1 A 79 79 ARG CB C 79 34.400 33.799 0.601 1
1 879 . 14 1 1 A 79 79 ARG N N 79 119.100 117.836 1.264 1
1 880 . 14 1 1 A 80 80 PHE H H 80 8.970 9.188 -0.218 1
1 881 . 14 1 1 A 80 80 PHE HA H 80 4.720 4.960 -0.240 1
1 889 . 14 1 1 A 80 80 PHE C C 80 172.700 173.964 -1.264 1
1 890 . 14 1 1 A 80 80 PHE CA C 80 56.300 56.185 0.115 1
1 891 . 14 1 1 A 80 80 PHE CB C 80 42.600 43.581 -0.981 1
1 897 . 14 1 1 A 80 80 PHE N N 80 119.200 120.602 -1.402 1
1 898 . 14 1 1 A 81 81 LYS H H 81 9.350 8.222 1.128 1
1 899 . 14 1 1 A 81 81 LYS HA H 81 4.800 4.747 0.053 1
1 908 . 14 1 1 A 81 81 LYS C C 81 174.500 174.685 -0.185 1
1 909 . 14 1 1 A 81 81 LYS CA C 81 55.600 54.613 0.987 1
1 910 . 14 1 1 A 81 81 LYS CB C 81 35.200 34.229 0.971 1
1 914 . 14 1 1 A 81 81 LYS N N 81 124.500 122.986 1.514 1
1 915 . 14 1 1 A 82 82 PHE H H 82 8.840 8.591 0.249 1
1 916 . 14 1 1 A 82 82 PHE HA H 82 4.550 4.609 -0.059 1
1 924 . 14 1 1 A 82 82 PHE C C 82 173.200 175.997 -2.797 1
1 925 . 14 1 1 A 82 82 PHE CA C 82 57.800 56.206 1.594 1
1 926 . 14 1 1 A 82 82 PHE CB C 82 40.100 43.127 -3.027 1
1 932 . 14 1 1 A 82 82 PHE N N 82 127.900 124.712 3.188 1
1 933 . 14 1 1 A 83 83 GLU H H 83 7.590 8.713 -1.123 1
1 934 . 14 1 1 A 83 83 GLU HA H 83 4.120 4.199 -0.079 1
1 939 . 14 1 1 A 83 83 GLU C C 83 177.500 176.662 0.838 1
1 940 . 14 1 1 A 83 83 GLU CA C 83 58.900 59.410 -0.510 1
1 941 . 14 1 1 A 83 83 GLU CB C 83 29.900 30.674 -0.774 1
1 943 . 14 1 1 A 83 83 GLU N N 83 119.400 121.186 -1.786 1
1 944 . 14 1 1 A 84 84 VAL H H 84 7.470 7.752 -0.282 1
1 945 . 14 1 1 A 84 84 VAL HA H 84 4.770 4.572 0.198 1
1 953 . 14 1 1 A 84 84 VAL C C 84 177.100 176.008 1.092 1
1 954 . 14 1 1 A 84 84 VAL CA C 84 58.500 58.858 -0.358 1
1 955 . 14 1 1 A 84 84 VAL CB C 84 36.000 35.194 0.806 1
1 958 . 14 1 1 A 84 84 VAL N N 84 108.000 116.527 -8.527 1
1 959 . 14 1 1 A 85 85 SER H H 85 8.980 9.022 -0.042 1
1 960 . 14 1 1 A 85 85 SER HA H 85 4.160 4.152 0.008 1
1 963 . 14 1 1 A 85 85 SER C C 85 176.900 176.559 0.341 1
1 964 . 14 1 1 A 85 85 SER CA C 85 61.200 61.536 -0.336 1
1 965 . 14 1 1 A 85 85 SER CB C 85 62.600 62.608 -0.008 1
1 966 . 14 1 1 A 85 85 SER N N 85 120.300 119.112 1.188 1
1 967 . 14 1 1 A 86 86 ALA H H 86 8.370 8.277 0.093 1
1 968 . 14 1 1 A 86 86 ALA HA H 86 4.000 3.983 0.017 1
1 972 . 14 1 1 A 86 86 ALA C C 86 180.500 180.022 0.478 1
1 973 . 14 1 1 A 86 86 ALA CA C 86 55.600 55.351 0.249 1
1 974 . 14 1 1 A 86 86 ALA CB C 86 18.500 18.510 -0.010 1
1 975 . 14 1 1 A 86 86 ALA N N 86 121.800 122.819 -1.019 1
1 976 . 14 1 1 A 87 87 GLU H H 87 6.920 7.596 -0.676 1
1 977 . 14 1 1 A 87 87 GLU HA H 87 3.640 3.834 -0.194 1
1 982 . 14 1 1 A 87 87 GLU C C 87 176.700 178.793 -2.093 1
1 983 . 14 1 1 A 87 87 GLU CA C 87 58.000 59.240 -1.240 1
1 984 . 14 1 1 A 87 87 GLU CB C 87 29.300 29.057 0.243 1
1 986 . 14 1 1 A 87 87 GLU N N 87 114.800 117.631 -2.831 1
1 987 . 14 1 1 A 88 88 LYS H H 88 6.520 8.197 -1.677 1
1 988 . 14 1 1 A 88 88 LYS HA H 88 3.140 3.926 -0.786 1
1 997 . 14 1 1 A 88 88 LYS C C 88 178.100 178.836 -0.736 1
1 998 . 14 1 1 A 88 88 LYS CA C 88 59.700 59.219 0.481 1
1 999 . 14 1 1 A 88 88 LYS CB C 88 32.300 32.194 0.106 1
1 1003 . 14 1 1 A 88 88 LYS N N 88 119.900 121.094 -1.194 1
1 1004 . 14 1 1 A 89 89 LEU H H 89 7.920 7.771 0.149 1
1 1005 . 14 1 1 A 89 89 LEU HA H 89 4.080 4.048 0.032 1
1 1015 . 14 1 1 A 89 89 LEU C C 89 179.900 179.459 0.441 1
1 1016 . 14 1 1 A 89 89 LEU CA C 89 58.000 57.924 0.076 1
1 1017 . 14 1 1 A 89 89 LEU CB C 89 41.500 41.579 -0.079 1
1 1021 . 14 1 1 A 89 89 LEU N N 89 118.200 118.752 -0.552 1
1 1022 . 14 1 1 A 90 90 ILE H H 90 7.570 7.977 -0.407 1
1 1023 . 14 1 1 A 90 90 ILE HA H 90 3.710 3.572 0.138 1
1 1033 . 14 1 1 A 90 90 ILE C C 90 178.000 178.173 -0.173 1
1 1034 . 14 1 1 A 90 90 ILE CA C 90 64.700 64.944 -0.244 1
1 1035 . 14 1 1 A 90 90 ILE CB C 90 37.600 37.633 -0.033 1
1 1039 . 14 1 1 A 90 90 ILE N N 90 120.400 119.430 0.970 1
1 1040 . 14 1 1 A 91 91 PHE H H 91 8.180 8.893 -0.713 1
1 1041 . 14 1 1 A 91 91 PHE HA H 91 3.920 3.837 0.083 1
1 1049 . 14 1 1 A 91 91 PHE C C 91 177.200 177.289 -0.089 1
1 1050 . 14 1 1 A 91 91 PHE CA C 91 61.600 61.552 0.048 1
1 1051 . 14 1 1 A 91 91 PHE CB C 91 39.600 39.154 0.446 1
1 1057 . 14 1 1 A 91 91 PHE N N 91 120.100 120.034 0.066 1
1 1058 . 14 1 1 A 92 92 GLU H H 92 8.470 8.648 -0.178 1
1 1059 . 14 1 1 A 92 92 GLU HA H 92 3.620 3.677 -0.057 1
1 1064 . 14 1 1 A 92 92 GLU C C 92 179.100 178.503 0.597 1
1 1065 . 14 1 1 A 92 92 GLU CA C 92 60.100 59.039 1.061 1
1 1066 . 14 1 1 A 92 92 GLU CB C 92 29.300 29.475 -0.175 1
1 1068 . 14 1 1 A 92 92 GLU N N 92 118.800 119.482 -0.682 1
1 1069 . 14 1 1 A 93 93 LEU H H 93 7.980 8.125 -0.145 1
1 1070 . 14 1 1 A 93 93 LEU HA H 93 4.000 3.940 0.060 1
1 1080 . 14 1 1 A 93 93 LEU C C 93 180.600 178.192 2.408 1
1 1081 . 14 1 1 A 93 93 LEU CA C 93 58.300 58.058 0.242 1
1 1082 . 14 1 1 A 93 93 LEU CB C 93 41.700 41.829 -0.129 1
1 1086 . 14 1 1 A 93 93 LEU N N 93 120.800 121.002 -0.202 1
1 1087 . 14 1 1 A 94 94 LYS H H 94 8.340 8.216 0.124 1
1 1088 . 14 1 1 A 94 94 LYS HA H 94 3.990 3.910 0.080 1
1 1097 . 14 1 1 A 94 94 LYS C C 94 179.600 178.877 0.723 1
1 1098 . 14 1 1 A 94 94 LYS CA C 94 59.200 59.354 -0.154 1
1 1099 . 14 1 1 A 94 94 LYS CB C 94 33.100 32.099 1.001 1
1 1103 . 14 1 1 A 94 94 LYS N N 94 119.300 118.697 0.603 1
1 1104 . 14 1 1 A 95 95 THR H H 95 8.100 8.403 -0.303 1
1 1105 . 14 1 1 A 95 95 THR HA H 95 3.640 3.380 0.260 1
1 1110 . 14 1 1 A 95 95 THR C C 95 176.800 175.682 1.118 1
1 1111 . 14 1 1 A 95 95 THR CA C 95 63.800 66.781 -2.981 1
1 1112 . 14 1 1 A 95 95 THR CB C 95 68.900 67.365 1.535 1
1 1114 . 14 1 1 A 95 95 THR N N 95 109.700 116.299 -6.599 1
1 1115 . 14 1 1 A 96 96 ARG H H 96 7.570 8.340 -0.770 1
1 1116 . 14 1 1 A 96 96 ARG HA H 96 4.060 3.878 0.182 1
1 1124 . 14 1 1 A 96 96 ARG C C 96 178.300 178.026 0.274 1
1 1125 . 14 1 1 A 96 96 ARG CA C 96 59.500 59.558 -0.058 1
1 1126 . 14 1 1 A 96 96 ARG CB C 96 29.800 29.893 -0.093 1
1 1130 . 14 1 1 A 96 96 ARG N N 96 123.200 119.771 3.429 1
1 1132 . 14 1 1 A 97 97 ALA H H 97 7.520 7.637 -0.117 1
1 1133 . 14 1 1 A 97 97 ALA HA H 97 4.130 4.059 0.071 1
1 1137 . 14 1 1 A 97 97 ALA C C 97 179.500 180.003 -0.503 1
1 1138 . 14 1 1 A 97 97 ALA CA C 97 54.100 55.291 -1.191 1
1 1139 . 14 1 1 A 97 97 ALA CB C 97 18.200 17.992 0.208 1
1 1140 . 14 1 1 A 97 97 ALA N N 97 119.700 122.048 -2.348 1
1 1141 . 14 1 1 A 98 98 LEU H H 98 7.370 7.667 -0.297 1
1 1142 . 14 1 1 A 98 98 LEU HA H 98 4.070 3.939 0.131 1
1 1152 . 14 1 1 A 98 98 LEU C C 98 178.800 179.020 -0.220 1
1 1153 . 14 1 1 A 98 98 LEU CA C 98 56.500 57.708 -1.208 1
1 1154 . 14 1 1 A 98 98 LEU CB C 98 41.700 41.288 0.412 1
1 1158 . 14 1 1 A 98 98 LEU N N 98 118.300 118.534 -0.234 1
1 1159 . 14 1 1 A 99 99 ALA H H 99 7.940 8.466 -0.526 1
1 1160 . 14 1 1 A 99 99 ALA HA H 99 4.250 4.071 0.179 1
1 1164 . 14 1 1 A 99 99 ALA C C 99 179.100 179.403 -0.303 1
1 1165 . 14 1 1 A 99 99 ALA CA C 99 53.600 55.763 -2.163 1
1 1166 . 14 1 1 A 99 99 ALA CB C 99 18.600 18.431 0.169 1
1 1167 . 14 1 1 A 99 99 ALA N N 99 122.100 121.496 0.604 1
1 1168 . 14 1 1 A 100 100 ARG H H 100 7.840 7.753 0.087 1
1 1169 . 14 1 1 A 100 100 ARG HA H 100 4.210 4.415 -0.205 1
1 1176 . 14 1 1 A 100 100 ARG C C 100 177.100 176.404 0.696 1
1 1177 . 14 1 1 A 100 100 ARG CA C 100 57.100 57.180 -0.080 1
1 1178 . 14 1 1 A 100 100 ARG CB C 100 30.300 31.534 -1.234 1
1 1181 . 14 1 1 A 100 100 ARG N N 100 117.900 115.374 2.526 1
1 1182 . 14 1 1 A 101 101 LEU H H 101 7.890 7.722 0.168 1
1 1183 . 14 1 1 A 101 101 LEU HA H 101 4.240 4.587 -0.347 1
1 1193 . 14 1 1 A 101 101 LEU C C 101 177.800 174.684 3.116 1
1 1194 . 14 1 1 A 101 101 LEU CA C 101 55.700 54.188 1.512 1
1 1195 . 14 1 1 A 101 101 LEU CB C 101 41.900 45.195 -3.295 1
1 1199 . 14 1 1 A 101 101 LEU N N 101 120.800 117.134 3.666 1
1 1200 . 14 1 1 A 102 102 GLU H H 102 8.040 8.825 -0.785 1
1 1201 . 14 1 1 A 102 102 GLU HA H 102 4.240 4.346 -0.106 1
1 1206 . 14 1 1 A 102 102 GLU C C 102 176.500 175.966 0.534 1
1 1207 . 14 1 1 A 102 102 GLU CA C 102 56.600 57.342 -0.742 1
1 1208 . 14 1 1 A 102 102 GLU CB C 102 30.000 29.841 0.159 1
1 1210 . 14 1 1 A 102 102 GLU N N 102 120.100 124.320 -4.220 1
1 1211 . 14 1 1 A 103 103 HIS H H 103 8.200 8.225 -0.025 1
1 1212 . 14 1 1 A 103 103 HIS HA H 103 4.540 4.097 0.443 1
1 1216 . 14 1 1 A 103 103 HIS CA C 103 56.100 57.992 -1.892 1
1 1217 . 14 1 1 A 103 103 HIS CB C 103 29.900 28.247 1.653 1
1 1218 . 14 1 1 A 103 103 HIS N N 103 119.200 119.996 -0.796 1
1 1219 . 14 1 1 A 107 107 HIS HA H 107 4.560 5.037 -0.477 1
1 1222 . 14 1 1 A 107 107 HIS C C 107 173.800 172.540 1.260 1
1 1223 . 14 1 1 A 107 107 HIS CA C 107 55.800 55.301 0.499 1
1 1224 . 14 1 1 A 107 107 HIS CB C 107 29.900 33.492 -3.592 1
1 1 . 15 1 1 A 4 4 GLN HA H 4 4.360 3.963 0.397 1
1 7 . 15 1 1 A 4 4 GLN C C 4 176.100 176.047 0.053 1
1 8 . 15 1 1 A 4 4 GLN CA C 4 56.000 58.822 -2.822 1
1 9 . 15 1 1 A 4 4 GLN CB C 4 29.300 28.693 0.607 1
1 11 . 15 1 1 A 5 5 THR H H 5 8.280 7.982 0.298 1
1 12 . 15 1 1 A 5 5 THR HA H 5 4.320 3.930 0.390 1
1 17 . 15 1 1 A 5 5 THR C C 5 174.300 173.198 1.102 1
1 18 . 15 1 1 A 5 5 THR CA C 5 62.200 62.565 -0.365 1
1 19 . 15 1 1 A 5 5 THR CB C 5 69.600 67.195 2.405 1
1 21 . 15 1 1 A 5 5 THR N N 5 115.700 110.442 5.258 1
1 22 . 15 1 1 A 6 6 CYS H H 6 8.410 7.744 0.666 1
1 23 . 15 1 1 A 6 6 CYS HA H 6 4.540 5.061 -0.521 1
1 26 . 15 1 1 A 6 6 CYS C C 6 174.400 172.840 1.560 1
1 27 . 15 1 1 A 6 6 CYS CA C 6 58.200 58.005 0.195 1
1 28 . 15 1 1 A 6 6 CYS CB C 6 27.800 32.359 -4.559 1
1 29 . 15 1 1 A 6 6 CYS N N 6 121.900 119.760 2.140 1
1 30 . 15 1 1 A 7 7 VAL H H 7 8.290 8.759 -0.469 1
1 31 . 15 1 1 A 7 7 VAL HA H 7 4.090 4.431 -0.341 1
1 39 . 15 1 1 A 7 7 VAL C C 7 176.100 175.637 0.463 1
1 40 . 15 1 1 A 7 7 VAL CA C 7 62.400 61.559 0.841 1
1 41 . 15 1 1 A 7 7 VAL CB C 7 32.500 33.115 -0.615 1
1 44 . 15 1 1 A 7 7 VAL N N 7 122.700 122.525 0.175 1
1 45 . 15 1 1 A 8 8 GLU H H 8 8.510 8.784 -0.274 1
1 46 . 15 1 1 A 8 8 GLU HA H 8 4.240 3.975 0.265 1
1 51 . 15 1 1 A 8 8 GLU C C 8 176.100 176.507 -0.407 1
1 52 . 15 1 1 A 8 8 GLU CA C 8 56.900 57.653 -0.753 1
1 53 . 15 1 1 A 8 8 GLU CB C 8 30.100 29.642 0.458 1
1 55 . 15 1 1 A 8 8 GLU N N 8 124.300 126.632 -2.332 1
1 56 . 15 1 1 A 9 9 ASN H H 9 8.390 9.437 -1.047 1
1 57 . 15 1 1 A 9 9 ASN HA H 9 4.650 4.387 0.263 1
1 62 . 15 1 1 A 9 9 ASN C C 9 174.900 174.919 -0.019 1
1 63 . 15 1 1 A 9 9 ASN CA C 9 53.400 55.160 -1.760 1
1 64 . 15 1 1 A 9 9 ASN CB C 9 39.000 37.364 1.636 1
1 66 . 15 1 1 A 9 9 ASN N N 9 119.300 121.481 -2.181 1
1 68 . 15 1 1 A 10 10 GLU H H 10 8.330 8.706 -0.376 1
1 69 . 15 1 1 A 10 10 GLU HA H 10 4.250 4.166 0.084 1
1 74 . 15 1 1 A 10 10 GLU C C 10 176.400 176.025 0.375 1
1 75 . 15 1 1 A 10 10 GLU CA C 10 56.800 58.511 -1.711 1
1 76 . 15 1 1 A 10 10 GLU CB C 10 30.200 29.820 0.380 1
1 78 . 15 1 1 A 10 10 GLU N N 10 121.400 121.039 0.361 1
1 79 . 15 1 1 A 11 11 VAL H H 11 8.250 8.782 -0.532 1
1 80 . 15 1 1 A 11 11 VAL HA H 11 4.090 3.793 0.297 1
1 88 . 15 1 1 A 11 11 VAL C C 11 176.100 175.776 0.324 1
1 89 . 15 1 1 A 11 11 VAL CA C 11 62.400 63.399 -0.999 1
1 90 . 15 1 1 A 11 11 VAL CB C 11 32.500 29.456 3.044 1
1 93 . 15 1 1 A 11 11 VAL N N 11 121.900 118.822 3.078 1
1 94 . 15 1 1 A 12 12 CYS H H 12 8.450 8.128 0.322 1
1 95 . 15 1 1 A 12 12 CYS HA H 12 4.500 4.138 0.362 1
1 98 . 15 1 1 A 12 12 CYS C C 12 174.400 173.860 0.540 1
1 99 . 15 1 1 A 12 12 CYS CA C 12 58.300 59.942 -1.642 1
1 100 . 15 1 1 A 12 12 CYS CB C 12 28.000 26.788 1.212 1
1 101 . 15 1 1 A 12 12 CYS N N 12 123.800 119.890 3.910 1
1 102 . 15 1 1 A 13 13 GLU H H 13 8.560 8.489 0.071 1
1 103 . 15 1 1 A 13 13 GLU HA H 13 4.260 3.834 0.426 1
1 108 . 15 1 1 A 13 13 GLU C C 13 176.100 175.857 0.243 1
1 109 . 15 1 1 A 13 13 GLU CA C 13 56.700 57.311 -0.611 1
1 110 . 15 1 1 A 13 13 GLU CB C 13 30.200 28.219 1.981 1
1 112 . 15 1 1 A 13 13 GLU N N 13 124.100 116.948 7.152 1
1 113 . 15 1 1 A 14 14 ALA H H 14 8.400 7.888 0.512 1
1 114 . 15 1 1 A 14 14 ALA HA H 14 4.350 4.397 -0.047 1
1 118 . 15 1 1 A 14 14 ALA C C 14 177.700 176.733 0.967 1
1 119 . 15 1 1 A 14 14 ALA CA C 14 52.600 52.695 -0.095 1
1 120 . 15 1 1 A 14 14 ALA CB C 14 19.100 19.526 -0.426 1
1 121 . 15 1 1 A 14 14 ALA N N 14 125.400 121.129 4.271 1
1 122 . 15 1 1 A 15 15 CYS H H 15 8.370 8.562 -0.192 1
1 123 . 15 1 1 A 15 15 CYS HA H 15 4.490 4.902 -0.412 1
1 126 . 15 1 1 A 15 15 CYS C C 15 175.100 174.906 0.194 1
1 127 . 15 1 1 A 15 15 CYS CA C 15 58.400 58.151 0.249 1
1 128 . 15 1 1 A 15 15 CYS CB C 15 28.000 30.581 -2.581 1
1 129 . 15 1 1 A 15 15 CYS N N 15 118.500 121.297 -2.797 1
1 130 . 15 1 1 A 16 16 GLY H H 16 8.480 8.789 -0.309 1
1 131 . 15 1 1 A 16 16 GLY HA2 H 16 3.970 3.853 0.117 1
1 132 . 15 1 1 A 16 16 GLY HA3 H 16 3.970 3.853 0.117 1
1 133 . 15 1 1 A 16 16 GLY C C 16 174.100 174.019 0.081 1
1 134 . 15 1 1 A 16 16 GLY CA C 16 45.400 47.109 -1.709 1
1 135 . 15 1 1 A 16 16 GLY N N 16 111.300 114.962 -3.662 1
1 136 . 15 1 1 A 17 17 CYS H H 17 8.300 8.450 -0.150 1
1 137 . 15 1 1 A 17 17 CYS HA H 17 4.500 4.230 0.270 1
1 140 . 15 1 1 A 17 17 CYS C C 17 174.500 174.697 -0.197 1
1 141 . 15 1 1 A 17 17 CYS CA C 17 58.300 59.681 -1.381 1
1 142 . 15 1 1 A 17 17 CYS CB C 17 28.100 26.317 1.783 1
1 143 . 15 1 1 A 17 17 CYS N N 17 118.900 120.838 -1.938 1
1 144 . 15 1 1 A 18 18 ALA H H 18 8.520 8.549 -0.029 1
1 145 . 15 1 1 A 18 18 ALA HA H 18 4.260 4.270 -0.010 1
1 149 . 15 1 1 A 18 18 ALA C C 18 178.000 177.585 0.415 1
1 150 . 15 1 1 A 18 18 ALA CA C 18 52.900 52.057 0.843 1
1 151 . 15 1 1 A 18 18 ALA CB C 18 19.000 19.450 -0.450 1
1 152 . 15 1 1 A 18 18 ALA N N 18 126.800 127.206 -0.406 1
1 153 . 15 1 1 A 19 19 GLY H H 19 8.310 7.971 0.339 1
1 154 . 15 1 1 A 19 19 GLY HA2 H 19 3.890 4.070 -0.180 1
1 155 . 15 1 1 A 19 19 GLY HA3 H 19 3.890 4.072 -0.182 1
1 156 . 15 1 1 A 19 19 GLY C C 19 174.000 175.421 -1.421 1
1 157 . 15 1 1 A 19 19 GLY CA C 19 45.000 44.588 0.412 1
1 158 . 15 1 1 A 19 19 GLY N N 19 108.100 107.146 0.954 1
1 159 . 15 1 1 A 20 20 GLU H H 20 8.180 8.740 -0.560 1
1 160 . 15 1 1 A 20 20 GLU HA H 20 4.270 4.030 0.240 1
1 165 . 15 1 1 A 20 20 GLU C C 20 176.400 176.941 -0.541 1
1 166 . 15 1 1 A 20 20 GLU CA C 20 56.200 59.186 -2.986 1
1 167 . 15 1 1 A 20 20 GLU CB C 20 30.100 29.837 0.263 1
1 169 . 15 1 1 A 20 20 GLU N N 20 120.500 120.355 0.145 1
1 170 . 15 1 1 A 21 21 ILE H H 21 8.160 8.169 -0.009 1
1 171 . 15 1 1 A 21 21 ILE HA H 21 4.020 4.453 -0.433 1
1 181 . 15 1 1 A 21 21 ILE C C 21 176.400 176.262 0.138 1
1 182 . 15 1 1 A 21 21 ILE CA C 21 61.200 59.678 1.522 1
1 183 . 15 1 1 A 21 21 ILE CB C 21 38.200 38.903 -0.703 1
1 187 . 15 1 1 A 21 21 ILE N N 21 122.000 119.680 2.320 1
1 188 . 15 1 1 A 22 22 GLY H H 22 8.260 8.846 -0.586 1
1 189 . 15 1 1 A 22 22 GLY HA2 H 22 3.740 3.950 -0.210 1
1 190 . 15 1 1 A 22 22 GLY HA3 H 22 3.880 3.985 -0.105 1
1 191 . 15 1 1 A 22 22 GLY C C 22 173.200 174.929 -1.729 1
1 192 . 15 1 1 A 22 22 GLY CA C 22 45.100 46.280 -1.180 1
1 193 . 15 1 1 A 22 22 GLY N N 22 112.500 115.408 -2.908 1
1 194 . 15 1 1 A 23 23 PHE H H 23 7.890 8.656 -0.766 1
1 195 . 15 1 1 A 23 23 PHE HA H 23 4.550 4.456 0.094 1
1 202 . 15 1 1 A 23 23 PHE CA C 23 58.100 59.538 -1.438 1
1 203 . 15 1 1 A 23 23 PHE CB C 23 41.200 39.916 1.284 1
1 206 . 15 1 1 A 23 23 PHE N N 23 119.700 125.724 -6.024 1
1 207 . 15 1 1 A 24 24 ILE HA H 24 3.970 3.975 -0.005 1
1 217 . 15 1 1 A 24 24 ILE CA C 24 62.400 63.012 -0.612 1
1 218 . 15 1 1 A 24 24 ILE CB C 24 37.700 37.690 0.010 1
1 222 . 15 1 1 A 25 25 ILE H H 25 8.950 7.375 1.575 1
1 223 . 15 1 1 A 25 25 ILE HA H 25 3.740 4.073 -0.333 1
1 233 . 15 1 1 A 25 25 ILE C C 25 175.200 175.460 -0.260 1
1 234 . 15 1 1 A 25 25 ILE CA C 25 62.700 61.415 1.285 1
1 235 . 15 1 1 A 25 25 ILE CB C 25 38.200 36.217 1.983 1
1 239 . 15 1 1 A 25 25 ILE N N 25 124.800 125.254 -0.454 1
1 240 . 15 1 1 A 26 26 ARG H H 26 8.040 8.687 -0.647 1
1 241 . 15 1 1 A 26 26 ARG HA H 26 4.140 4.370 -0.230 1
1 248 . 15 1 1 A 26 26 ARG C C 26 175.900 175.477 0.423 1
1 249 . 15 1 1 A 26 26 ARG CA C 26 55.300 56.886 -1.586 1
1 250 . 15 1 1 A 26 26 ARG CB C 26 31.100 31.743 -0.643 1
1 253 . 15 1 1 A 26 26 ARG N N 26 128.100 129.299 -1.199 1
1 254 . 15 1 1 A 27 27 GLU H H 27 8.560 8.078 0.482 1
1 255 . 15 1 1 A 27 27 GLU HA H 27 4.030 4.592 -0.562 1
1 260 . 15 1 1 A 27 27 GLU C C 27 176.300 176.120 0.180 1
1 261 . 15 1 1 A 27 27 GLU CA C 27 57.000 55.646 1.354 1
1 262 . 15 1 1 A 27 27 GLU CB C 27 30.000 31.151 -1.151 1
1 264 . 15 1 1 A 27 27 GLU N N 27 123.500 116.767 6.733 1
1 265 . 15 1 1 A 28 28 GLY H H 28 8.420 8.369 0.051 1
1 266 . 15 1 1 A 28 28 GLY HA2 H 28 4.050 4.201 -0.151 1
1 267 . 15 1 1 A 28 28 GLY HA3 H 28 4.220 4.208 0.012 1
1 268 . 15 1 1 A 28 28 GLY C C 28 174.000 174.416 -0.416 1
1 269 . 15 1 1 A 28 28 GLY CA C 28 45.400 45.931 -0.531 1
1 270 . 15 1 1 A 28 28 GLY N N 28 108.300 107.664 0.636 1
1 271 . 15 1 1 A 29 29 ASP H H 29 8.690 9.286 -0.596 1
1 272 . 15 1 1 A 29 29 ASP HA H 29 4.430 4.475 -0.045 1
1 275 . 15 1 1 A 29 29 ASP C C 29 175.200 176.455 -1.255 1
1 276 . 15 1 1 A 29 29 ASP CA C 29 56.300 56.131 0.169 1
1 277 . 15 1 1 A 29 29 ASP CB C 29 40.300 40.402 -0.102 1
1 278 . 15 1 1 A 29 29 ASP N N 29 119.800 123.408 -3.608 1
1 279 . 15 1 1 A 30 30 ASP H H 30 8.630 8.274 0.356 1
1 280 . 15 1 1 A 30 30 ASP HA H 30 4.260 4.663 -0.403 1
1 283 . 15 1 1 A 30 30 ASP C C 30 174.300 175.271 -0.971 1
1 284 . 15 1 1 A 30 30 ASP CA C 30 52.600 53.491 -0.891 1
1 285 . 15 1 1 A 30 30 ASP CB C 30 39.200 39.924 -0.724 1
1 286 . 15 1 1 A 30 30 ASP N N 30 114.900 115.541 -0.641 1
1 287 . 15 1 1 A 31 31 VAL H H 31 7.550 7.560 -0.010 1
1 288 . 15 1 1 A 31 31 VAL HA H 31 5.300 4.536 0.764 1
1 296 . 15 1 1 A 31 31 VAL C C 31 175.800 174.859 0.941 1
1 297 . 15 1 1 A 31 31 VAL CA C 31 60.700 60.869 -0.169 1
1 298 . 15 1 1 A 31 31 VAL CB C 31 35.000 34.352 0.648 1
1 301 . 15 1 1 A 31 31 VAL N N 31 120.500 119.802 0.698 1
1 302 . 15 1 1 A 32 32 ALA H H 32 9.580 9.588 -0.008 1
1 303 . 15 1 1 A 32 32 ALA HA H 32 5.030 5.296 -0.266 1
1 307 . 15 1 1 A 32 32 ALA C C 32 175.800 176.013 -0.213 1
1 308 . 15 1 1 A 32 32 ALA CA C 32 50.000 50.194 -0.194 1
1 309 . 15 1 1 A 32 32 ALA CB C 32 22.800 22.729 0.071 1
1 310 . 15 1 1 A 32 32 ALA N N 32 130.500 129.604 0.896 1
1 311 . 15 1 1 A 33 33 GLU H H 33 9.270 8.805 0.465 1
1 312 . 15 1 1 A 33 33 GLU HA H 33 5.140 5.288 -0.148 1
1 317 . 15 1 1 A 33 33 GLU C C 33 175.900 175.627 0.273 1
1 318 . 15 1 1 A 33 33 GLU CA C 33 55.300 55.334 -0.034 1
1 319 . 15 1 1 A 33 33 GLU CB C 33 31.500 32.036 -0.536 1
1 321 . 15 1 1 A 33 33 GLU N N 33 124.500 119.911 4.589 1
1 322 . 15 1 1 A 34 34 VAL H H 34 9.140 9.177 -0.037 1
1 323 . 15 1 1 A 34 34 VAL HA H 34 4.580 5.027 -0.447 1
1 331 . 15 1 1 A 34 34 VAL C C 34 174.300 175.210 -0.910 1
1 332 . 15 1 1 A 34 34 VAL CA C 34 60.800 60.690 0.110 1
1 333 . 15 1 1 A 34 34 VAL CB C 34 35.700 34.817 0.883 1
1 336 . 15 1 1 A 34 34 VAL N N 34 124.700 125.482 -0.782 1
1 337 . 15 1 1 A 35 35 SER H H 35 8.450 9.056 -0.606 1
1 338 . 15 1 1 A 35 35 SER HA H 35 5.060 5.257 -0.197 1
1 341 . 15 1 1 A 35 35 SER C C 35 172.100 173.133 -1.033 1
1 342 . 15 1 1 A 35 35 SER CA C 35 56.900 56.181 0.719 1
1 343 . 15 1 1 A 35 35 SER CB C 35 64.800 65.866 -1.066 1
1 344 . 15 1 1 A 35 35 SER N N 35 122.100 120.868 1.232 1
1 345 . 15 1 1 A 36 36 LEU H H 36 8.540 8.058 0.482 1
1 346 . 15 1 1 A 36 36 LEU HA H 36 4.570 4.739 -0.169 1
1 356 . 15 1 1 A 36 36 LEU C C 36 174.200 175.071 -0.871 1
1 357 . 15 1 1 A 36 36 LEU CA C 36 52.600 53.352 -0.752 1
1 358 . 15 1 1 A 36 36 LEU CB C 36 45.600 45.125 0.475 1
1 362 . 15 1 1 A 36 36 LEU N N 36 123.600 124.441 -0.841 1
1 363 . 15 1 1 A 37 37 PHE H H 37 8.400 8.751 -0.351 1
1 364 . 15 1 1 A 37 37 PHE HA H 37 5.300 5.377 -0.077 1
1 369 . 15 1 1 A 37 37 PHE C C 37 175.600 175.055 0.545 1
1 370 . 15 1 1 A 37 37 PHE CA C 37 56.300 55.765 0.535 1
1 371 . 15 1 1 A 37 37 PHE CB C 37 42.000 42.751 -0.751 1
1 374 . 15 1 1 A 37 37 PHE N N 37 118.300 121.468 -3.168 1
1 375 . 15 1 1 A 38 38 GLY H H 38 8.340 8.340 0.000 1
1 376 . 15 1 1 A 38 38 GLY HA2 H 38 3.750 4.348 -0.598 1
1 377 . 15 1 1 A 38 38 GLY HA3 H 38 4.210 4.364 -0.154 1
1 378 . 15 1 1 A 38 38 GLY CA C 38 45.600 45.964 -0.364 1
1 379 . 15 1 1 A 38 38 GLY N N 38 109.300 109.740 -0.440 1
1 380 . 15 1 1 A 39 39 SER HA H 39 4.210 4.623 -0.413 1
1 383 . 15 1 1 A 39 39 SER C C 39 173.700 173.382 0.318 1
1 384 . 15 1 1 A 39 39 SER CA C 39 60.100 58.015 2.085 1
1 385 . 15 1 1 A 39 39 SER CB C 39 63.900 64.113 -0.213 1
1 386 . 15 1 1 A 40 40 ASP H H 40 7.670 8.108 -0.438 1
1 387 . 15 1 1 A 40 40 ASP HA H 40 4.810 4.612 0.198 1
1 390 . 15 1 1 A 40 40 ASP C C 40 175.500 177.419 -1.919 1
1 391 . 15 1 1 A 40 40 ASP CA C 40 52.900 53.886 -0.986 1
1 392 . 15 1 1 A 40 40 ASP CB C 40 41.300 42.259 -0.959 1
1 393 . 15 1 1 A 40 40 ASP N N 40 115.800 122.497 -6.697 1
1 394 . 15 1 1 A 41 41 LYS H H 41 8.260 8.670 -0.410 1
1 395 . 15 1 1 A 41 41 LYS HA H 41 3.780 3.945 -0.165 1
1 404 . 15 1 1 A 41 41 LYS C C 41 177.100 178.452 -1.352 1
1 405 . 15 1 1 A 41 41 LYS CA C 41 60.500 59.358 1.142 1
1 406 . 15 1 1 A 41 41 LYS CB C 41 33.400 31.958 1.442 1
1 410 . 15 1 1 A 41 41 LYS N N 41 120.200 125.477 -5.277 1
1 411 . 15 1 1 A 42 42 ALA H H 42 8.420 8.082 0.338 1
1 412 . 15 1 1 A 42 42 ALA HA H 42 4.180 4.105 0.075 1
1 416 . 15 1 1 A 42 42 ALA C C 42 181.900 180.136 1.764 1
1 417 . 15 1 1 A 42 42 ALA CA C 42 55.400 55.255 0.145 1
1 418 . 15 1 1 A 42 42 ALA CB C 42 17.700 18.776 -1.076 1
1 419 . 15 1 1 A 42 42 ALA N N 42 120.700 121.770 -1.070 1
1 420 . 15 1 1 A 43 43 HIS H H 43 8.490 7.991 0.499 1
1 421 . 15 1 1 A 43 43 HIS HA H 43 4.330 4.282 0.048 1
1 424 . 15 1 1 A 43 43 HIS C C 43 178.800 176.875 1.925 1
1 425 . 15 1 1 A 43 43 HIS CA C 43 59.600 59.937 -0.337 1
1 426 . 15 1 1 A 43 43 HIS CB C 43 30.300 29.708 0.592 1
1 427 . 15 1 1 A 43 43 HIS N N 43 118.000 118.006 -0.006 1
1 428 . 15 1 1 A 44 44 LEU H H 44 8.340 7.995 0.345 1
1 429 . 15 1 1 A 44 44 LEU HA H 44 3.750 3.597 0.153 1
1 439 . 15 1 1 A 44 44 LEU C C 44 178.500 179.029 -0.529 1
1 440 . 15 1 1 A 44 44 LEU CA C 44 58.200 57.775 0.425 1
1 441 . 15 1 1 A 44 44 LEU CB C 44 42.100 41.222 0.878 1
1 445 . 15 1 1 A 44 44 LEU N N 44 121.500 119.061 2.439 1
1 446 . 15 1 1 A 45 45 GLU H H 45 8.880 8.728 0.152 1
1 447 . 15 1 1 A 45 45 GLU HA H 45 3.750 4.003 -0.253 1
1 452 . 15 1 1 A 45 45 GLU C C 45 180.200 180.080 0.120 1
1 453 . 15 1 1 A 45 45 GLU CA C 45 60.000 59.448 0.552 1
1 454 . 15 1 1 A 45 45 GLU CB C 45 29.000 29.025 -0.025 1
1 456 . 15 1 1 A 45 45 GLU N N 45 118.300 118.148 0.152 1
1 457 . 15 1 1 A 46 46 GLY H H 46 7.970 8.062 -0.092 1
1 458 . 15 1 1 A 46 46 GLY HA2 H 46 3.920 3.730 0.190 1
1 459 . 15 1 1 A 46 46 GLY HA3 H 46 3.920 3.735 0.185 1
1 460 . 15 1 1 A 46 46 GLY C C 46 176.500 175.928 0.572 1
1 461 . 15 1 1 A 46 46 GLY CA C 46 46.900 47.386 -0.486 1
1 462 . 15 1 1 A 46 46 GLY N N 46 108.100 109.635 -1.535 1
1 463 . 15 1 1 A 47 47 LYS H H 47 7.690 7.566 0.124 1
1 464 . 15 1 1 A 47 47 LYS HA H 47 4.320 3.930 0.390 1
1 473 . 15 1 1 A 47 47 LYS C C 47 179.400 179.229 0.171 1
1 474 . 15 1 1 A 47 47 LYS CA C 47 58.400 59.249 -0.849 1
1 475 . 15 1 1 A 47 47 LYS CB C 47 32.100 31.949 0.151 1
1 479 . 15 1 1 A 47 47 LYS N N 47 122.400 122.208 0.192 1
1 480 . 15 1 1 A 48 48 LEU H H 48 8.550 8.104 0.446 1
1 481 . 15 1 1 A 48 48 LEU HA H 48 3.980 3.841 0.139 1
1 491 . 15 1 1 A 48 48 LEU C C 48 178.300 178.310 -0.010 1
1 492 . 15 1 1 A 48 48 LEU CA C 48 57.900 57.559 0.341 1
1 493 . 15 1 1 A 48 48 LEU CB C 48 40.800 41.104 -0.304 1
1 497 . 15 1 1 A 48 48 LEU N N 48 120.600 121.183 -0.583 1
1 498 . 15 1 1 A 49 49 ALA H H 49 7.810 8.424 -0.614 1
1 499 . 15 1 1 A 49 49 ALA HA H 49 4.000 3.946 0.054 1
1 503 . 15 1 1 A 49 49 ALA C C 49 180.400 180.055 0.345 1
1 504 . 15 1 1 A 49 49 ALA CA C 49 55.600 55.163 0.437 1
1 505 . 15 1 1 A 49 49 ALA CB C 49 17.900 18.111 -0.211 1
1 506 . 15 1 1 A 49 49 ALA N N 49 120.000 119.925 0.075 1
1 507 . 15 1 1 A 50 50 GLU H H 50 7.520 7.539 -0.019 1
1 508 . 15 1 1 A 50 50 GLU HA H 50 4.130 4.109 0.021 1
1 513 . 15 1 1 A 50 50 GLU C C 50 179.600 179.435 0.165 1
1 514 . 15 1 1 A 50 50 GLU CA C 50 59.200 58.690 0.510 1
1 515 . 15 1 1 A 50 50 GLU CB C 50 29.800 29.640 0.160 1
1 517 . 15 1 1 A 50 50 GLU N N 50 117.300 119.124 -1.824 1
1 518 . 15 1 1 A 51 51 TYR H H 51 7.860 8.228 -0.368 1
1 519 . 15 1 1 A 51 51 TYR HA H 51 3.900 4.301 -0.401 1
1 526 . 15 1 1 A 51 51 TYR C C 51 177.900 178.424 -0.524 1
1 527 . 15 1 1 A 51 51 TYR CA C 51 62.400 60.925 1.475 1
1 528 . 15 1 1 A 51 51 TYR CB C 51 38.200 38.230 -0.030 1
1 533 . 15 1 1 A 51 51 TYR N N 51 120.300 119.426 0.874 1
1 534 . 15 1 1 A 52 52 ILE H H 52 8.590 8.367 0.223 1
1 535 . 15 1 1 A 52 52 ILE HA H 52 3.420 3.721 -0.301 1
1 545 . 15 1 1 A 52 52 ILE C C 52 177.400 178.006 -0.606 1
1 546 . 15 1 1 A 52 52 ILE CA C 52 66.200 65.356 0.844 1
1 547 . 15 1 1 A 52 52 ILE CB C 52 38.200 37.998 0.202 1
1 551 . 15 1 1 A 52 52 ILE N N 52 120.100 120.732 -0.632 1
1 552 . 15 1 1 A 53 53 SER H H 53 7.860 7.757 0.103 1
1 553 . 15 1 1 A 53 53 SER HA H 53 4.080 4.112 -0.032 1
1 556 . 15 1 1 A 53 53 SER C C 53 177.700 176.367 1.333 1
1 557 . 15 1 1 A 53 53 SER CA C 53 61.800 62.214 -0.414 1
1 558 . 15 1 1 A 53 53 SER CB C 53 62.600 62.779 -0.179 1
1 559 . 15 1 1 A 53 53 SER N N 53 113.100 116.597 -3.497 1
1 560 . 15 1 1 A 54 54 LEU H H 54 7.610 7.894 -0.284 1
1 561 . 15 1 1 A 54 54 LEU HA H 54 4.090 4.081 0.009 1
1 571 . 15 1 1 A 54 54 LEU C C 54 178.600 179.045 -0.445 1
1 572 . 15 1 1 A 54 54 LEU CA C 54 58.000 57.810 0.190 1
1 573 . 15 1 1 A 54 54 LEU CB C 54 42.200 41.051 1.149 1
1 577 . 15 1 1 A 54 54 LEU N N 54 121.200 121.061 0.139 1
1 578 . 15 1 1 A 55 55 ALA H H 55 8.640 8.697 -0.057 1
1 579 . 15 1 1 A 55 55 ALA HA H 55 3.860 4.218 -0.358 1
1 583 . 15 1 1 A 55 55 ALA C C 55 179.100 179.873 -0.773 1
1 584 . 15 1 1 A 55 55 ALA CA C 55 56.200 55.922 0.278 1
1 585 . 15 1 1 A 55 55 ALA CB C 55 19.000 18.714 0.286 1
1 586 . 15 1 1 A 55 55 ALA N N 55 121.900 122.067 -0.167 1
1 587 . 15 1 1 A 56 56 LYS H H 56 8.120 8.482 -0.362 1
1 588 . 15 1 1 A 56 56 LYS HA H 56 4.220 4.158 0.062 1
1 597 . 15 1 1 A 56 56 LYS C C 56 178.800 179.662 -0.862 1
1 598 . 15 1 1 A 56 56 LYS CA C 56 58.300 59.639 -1.339 1
1 599 . 15 1 1 A 56 56 LYS CB C 56 32.900 32.303 0.597 1
1 603 . 15 1 1 A 56 56 LYS N N 56 115.600 117.361 -1.761 1
1 604 . 15 1 1 A 57 57 GLN H H 57 7.590 7.670 -0.080 1
1 605 . 15 1 1 A 57 57 GLN HA H 57 4.010 4.060 -0.050 1
1 612 . 15 1 1 A 57 57 GLN C C 57 178.300 178.745 -0.445 1
1 613 . 15 1 1 A 57 57 GLN CA C 57 58.400 59.158 -0.758 1
1 614 . 15 1 1 A 57 57 GLN CB C 57 28.600 28.223 0.377 1
1 617 . 15 1 1 A 57 57 GLN N N 57 117.900 119.041 -1.141 1
1 619 . 15 1 1 A 58 58 VAL H H 58 7.650 7.989 -0.339 1
1 620 . 15 1 1 A 58 58 VAL HA H 58 3.750 3.786 -0.036 1
1 628 . 15 1 1 A 58 58 VAL C C 58 176.400 176.186 0.214 1
1 629 . 15 1 1 A 58 58 VAL CA C 58 65.500 65.800 -0.300 1
1 630 . 15 1 1 A 58 58 VAL CB C 58 32.000 32.215 -0.215 1
1 633 . 15 1 1 A 58 58 VAL N N 58 120.200 117.847 2.353 1
1 634 . 15 1 1 A 59 59 TYR H H 59 8.700 8.040 0.660 1
1 635 . 15 1 1 A 59 59 TYR HA H 59 5.040 4.910 0.130 1
1 642 . 15 1 1 A 59 59 TYR C C 59 174.100 173.703 0.397 1
1 643 . 15 1 1 A 59 59 TYR CA C 59 55.500 57.513 -2.013 1
1 644 . 15 1 1 A 59 59 TYR CB C 59 40.500 41.645 -1.145 1
1 649 . 15 1 1 A 59 59 TYR N N 59 120.400 119.492 0.908 1
1 650 . 15 1 1 A 60 60 ALA H H 60 8.900 8.219 0.681 1
1 651 . 15 1 1 A 60 60 ALA HA H 60 4.230 4.141 0.089 1
1 655 . 15 1 1 A 60 60 ALA CA C 60 55.400 52.306 3.094 1
1 656 . 15 1 1 A 60 60 ALA CB C 60 18.100 19.320 -1.220 1
1 657 . 15 1 1 A 60 60 ALA N N 60 131.000 129.154 1.846 1
1 658 . 15 1 1 A 61 61 ASN H H 61 5.430 8.837 -3.407 1
1 659 . 15 1 1 A 61 61 ASN HA H 61 4.760 4.208 0.552 1
1 664 . 15 1 1 A 61 61 ASN C C 61 173.200 174.071 -0.871 1
1 665 . 15 1 1 A 61 61 ASN CA C 61 51.800 54.046 -2.246 1
1 666 . 15 1 1 A 61 61 ASN CB C 61 37.600 36.880 0.720 1
1 668 . 15 1 1 A 61 61 ASN N N 61 111.100 115.112 -4.012 1
1 670 . 15 1 1 A 62 62 VAL H H 62 6.870 7.822 -0.952 1
1 671 . 15 1 1 A 62 62 VAL HA H 62 3.730 4.388 -0.658 1
1 679 . 15 1 1 A 62 62 VAL C C 62 172.400 174.828 -2.428 1
1 680 . 15 1 1 A 62 62 VAL CA C 62 62.500 62.639 -0.139 1
1 681 . 15 1 1 A 62 62 VAL CB C 62 31.300 33.101 -1.801 1
1 684 . 15 1 1 A 62 62 VAL N N 62 120.400 118.323 2.077 1
1 685 . 15 1 1 A 63 63 GLU H H 63 7.360 8.710 -1.350 1
1 686 . 15 1 1 A 63 63 GLU HA H 63 4.590 5.049 -0.459 1
1 691 . 15 1 1 A 63 63 GLU C C 63 174.500 174.588 -0.088 1
1 692 . 15 1 1 A 63 63 GLU CA C 63 54.000 54.734 -0.734 1
1 693 . 15 1 1 A 63 63 GLU CB C 63 32.700 33.432 -0.732 1
1 695 . 15 1 1 A 63 63 GLU N N 63 126.500 128.560 -2.060 1
1 696 . 15 1 1 A 64 64 TYR H H 64 8.300 8.486 -0.186 1
1 697 . 15 1 1 A 64 64 TYR HA H 64 5.400 5.169 0.231 1
1 704 . 15 1 1 A 64 64 TYR C C 64 173.400 172.024 1.376 1
1 705 . 15 1 1 A 64 64 TYR CA C 64 54.800 55.547 -0.747 1
1 706 . 15 1 1 A 64 64 TYR CB C 64 41.800 40.860 0.940 1
1 711 . 15 1 1 A 64 64 TYR N N 64 118.800 121.024 -2.224 1
1 712 . 15 1 1 A 65 65 GLU H H 65 8.470 8.384 0.086 1
1 713 . 15 1 1 A 65 65 GLU HA H 65 4.440 4.759 -0.319 1
1 718 . 15 1 1 A 65 65 GLU C C 65 173.800 174.373 -0.573 1
1 719 . 15 1 1 A 65 65 GLU CA C 65 54.600 55.032 -0.432 1
1 720 . 15 1 1 A 65 65 GLU CB C 65 35.000 33.772 1.228 1
1 722 . 15 1 1 A 65 65 GLU N N 65 121.300 120.100 1.200 1
1 723 . 15 1 1 A 66 66 VAL H H 66 8.780 8.777 0.003 1
1 724 . 15 1 1 A 66 66 VAL HA H 66 4.600 4.684 -0.084 1
1 732 . 15 1 1 A 66 66 VAL C C 66 175.900 175.233 0.667 1
1 733 . 15 1 1 A 66 66 VAL CA C 66 60.800 60.730 0.070 1
1 734 . 15 1 1 A 66 66 VAL CB C 66 33.800 34.378 -0.578 1
1 737 . 15 1 1 A 66 66 VAL N N 66 126.000 125.248 0.752 1
1 738 . 15 1 1 A 67 67 ALA H H 67 8.400 8.533 -0.133 1
1 739 . 15 1 1 A 67 67 ALA HA H 67 4.390 4.719 -0.329 1
1 743 . 15 1 1 A 67 67 ALA CA C 67 51.100 50.735 0.365 1
1 744 . 15 1 1 A 67 67 ALA CB C 67 16.800 18.441 -1.641 1
1 745 . 15 1 1 A 67 67 ALA N N 67 132.400 130.505 1.895 1
1 746 . 15 1 1 A 68 68 PRO HA H 68 4.260 4.498 -0.238 1
1 753 . 15 1 1 A 68 68 PRO C C 68 176.400 175.859 0.541 1
1 754 . 15 1 1 A 68 68 PRO CA C 68 63.800 63.339 0.461 1
1 755 . 15 1 1 A 68 68 PRO CB C 68 31.800 32.303 -0.503 1
1 758 . 15 1 1 A 69 69 VAL H H 69 8.240 8.536 -0.296 1
1 759 . 15 1 1 A 69 69 VAL HA H 69 4.360 4.649 -0.289 1
1 767 . 15 1 1 A 69 69 VAL C C 69 175.500 175.927 -0.427 1
1 768 . 15 1 1 A 69 69 VAL CA C 69 60.500 60.769 -0.269 1
1 769 . 15 1 1 A 69 69 VAL CB C 69 34.200 35.331 -1.131 1
1 772 . 15 1 1 A 69 69 VAL N N 69 121.600 123.763 -2.163 1
1 773 . 15 1 1 A 70 70 ALA H H 70 8.630 8.494 0.136 1
1 774 . 15 1 1 A 70 70 ALA HA H 70 4.370 4.515 -0.145 1
1 778 . 15 1 1 A 70 70 ALA C C 70 178.100 177.693 0.407 1
1 779 . 15 1 1 A 70 70 ALA CA C 70 51.700 51.857 -0.157 1
1 780 . 15 1 1 A 70 70 ALA CB C 70 19.700 18.265 1.435 1
1 781 . 15 1 1 A 70 70 ALA N N 70 128.800 129.310 -0.510 1
1 782 . 15 1 1 A 71 71 ASP H H 71 8.640 8.522 0.118 1
1 783 . 15 1 1 A 71 71 ASP HA H 71 4.330 4.213 0.117 1
1 786 . 15 1 1 A 71 71 ASP C C 71 177.000 176.097 0.903 1
1 787 . 15 1 1 A 71 71 ASP CA C 71 57.300 56.540 0.760 1
1 788 . 15 1 1 A 71 71 ASP CB C 71 40.300 39.370 0.930 1
1 789 . 15 1 1 A 71 71 ASP N N 71 118.900 113.281 5.619 1
1 790 . 15 1 1 A 72 72 ASN H H 72 8.100 9.092 -0.992 1
1 791 . 15 1 1 A 72 72 ASN HA H 72 4.810 4.719 0.091 1
1 796 . 15 1 1 A 72 72 ASN C C 72 175.300 176.007 -0.707 1
1 797 . 15 1 1 A 72 72 ASN CA C 72 51.900 52.297 -0.397 1
1 798 . 15 1 1 A 72 72 ASN CB C 72 37.400 38.325 -0.925 1
1 800 . 15 1 1 A 72 72 ASN N N 72 114.800 117.967 -3.167 1
1 802 . 15 1 1 A 73 73 ALA H H 73 7.580 7.580 0.000 1
1 803 . 15 1 1 A 73 73 ALA HA H 73 4.230 4.186 0.044 1
1 807 . 15 1 1 A 73 73 ALA C C 73 176.300 177.994 -1.694 1
1 808 . 15 1 1 A 73 73 ALA CA C 73 53.200 53.062 0.138 1
1 809 . 15 1 1 A 73 73 ALA CB C 73 21.000 19.376 1.624 1
1 810 . 15 1 1 A 73 73 ALA N N 73 123.400 121.988 1.412 1
1 811 . 15 1 1 A 74 74 THR H H 74 8.220 8.199 0.021 1
1 812 . 15 1 1 A 74 74 THR HA H 74 4.560 4.147 0.413 1
1 817 . 15 1 1 A 74 74 THR C C 74 174.100 173.317 0.783 1
1 818 . 15 1 1 A 74 74 THR CA C 74 60.200 63.749 -3.549 1
1 819 . 15 1 1 A 74 74 THR CB C 74 69.900 66.834 3.066 1
1 821 . 15 1 1 A 74 74 THR N N 74 104.600 110.577 -5.977 1
1 822 . 15 1 1 A 75 75 GLU H H 75 7.310 7.499 -0.189 1
1 823 . 15 1 1 A 75 75 GLU HA H 75 5.190 4.792 0.398 1
1 828 . 15 1 1 A 75 75 GLU C C 75 173.600 173.844 -0.244 1
1 829 . 15 1 1 A 75 75 GLU CA C 75 54.100 54.858 -0.758 1
1 830 . 15 1 1 A 75 75 GLU CB C 75 34.100 32.371 1.729 1
1 832 . 15 1 1 A 75 75 GLU N N 75 119.100 117.747 1.353 1
1 833 . 15 1 1 A 76 76 LEU H H 76 8.400 8.326 0.074 1
1 834 . 15 1 1 A 76 76 LEU HA H 76 4.650 5.055 -0.405 1
1 844 . 15 1 1 A 76 76 LEU C C 76 174.100 174.121 -0.021 1
1 845 . 15 1 1 A 76 76 LEU CA C 76 54.200 53.174 1.026 1
1 846 . 15 1 1 A 76 76 LEU CB C 76 47.400 45.698 1.702 1
1 850 . 15 1 1 A 76 76 LEU N N 76 122.600 123.977 -1.377 1
1 851 . 15 1 1 A 77 77 HIS H H 77 9.340 8.965 0.375 1
1 852 . 15 1 1 A 77 77 HIS HA H 77 5.440 5.036 0.404 1
1 855 . 15 1 1 A 77 77 HIS C C 77 172.700 174.614 -1.914 1
1 856 . 15 1 1 A 77 77 HIS CA C 77 54.400 55.089 -0.689 1
1 857 . 15 1 1 A 77 77 HIS CB C 77 31.700 31.125 0.575 1
1 858 . 15 1 1 A 77 77 HIS N N 77 123.500 125.417 -1.917 1
1 859 . 15 1 1 A 78 78 ALA H H 78 9.190 8.910 0.280 1
1 860 . 15 1 1 A 78 78 ALA HA H 78 5.620 5.132 0.488 1
1 864 . 15 1 1 A 78 78 ALA C C 78 175.600 175.364 0.236 1
1 865 . 15 1 1 A 78 78 ALA CA C 78 50.300 51.187 -0.887 1
1 866 . 15 1 1 A 78 78 ALA CB C 78 24.100 23.722 0.378 1
1 867 . 15 1 1 A 78 78 ALA N N 78 124.800 123.337 1.463 1
1 868 . 15 1 1 A 79 79 ARG H H 79 8.680 8.606 0.074 1
1 869 . 15 1 1 A 79 79 ARG HA H 79 5.230 5.484 -0.254 1
1 874 . 15 1 1 A 79 79 ARG C C 79 173.900 174.968 -1.068 1
1 875 . 15 1 1 A 79 79 ARG CA C 79 55.300 54.521 0.779 1
1 876 . 15 1 1 A 79 79 ARG CB C 79 34.400 34.493 -0.093 1
1 879 . 15 1 1 A 79 79 ARG N N 79 119.100 119.319 -0.219 1
1 880 . 15 1 1 A 80 80 PHE H H 80 8.970 8.918 0.052 1
1 881 . 15 1 1 A 80 80 PHE HA H 80 4.720 4.964 -0.244 1
1 889 . 15 1 1 A 80 80 PHE C C 80 172.700 173.863 -1.163 1
1 890 . 15 1 1 A 80 80 PHE CA C 80 56.300 56.168 0.132 1
1 891 . 15 1 1 A 80 80 PHE CB C 80 42.600 43.215 -0.615 1
1 897 . 15 1 1 A 80 80 PHE N N 80 119.200 121.265 -2.065 1
1 898 . 15 1 1 A 81 81 LYS H H 81 9.350 8.536 0.814 1
1 899 . 15 1 1 A 81 81 LYS HA H 81 4.800 4.923 -0.123 1
1 908 . 15 1 1 A 81 81 LYS C C 81 174.500 174.684 -0.184 1
1 909 . 15 1 1 A 81 81 LYS CA C 81 55.600 54.603 0.997 1
1 910 . 15 1 1 A 81 81 LYS CB C 81 35.200 34.932 0.268 1
1 914 . 15 1 1 A 81 81 LYS N N 81 124.500 122.994 1.506 1
1 915 . 15 1 1 A 82 82 PHE H H 82 8.840 8.582 0.258 1
1 916 . 15 1 1 A 82 82 PHE HA H 82 4.550 4.612 -0.062 1
1 924 . 15 1 1 A 82 82 PHE C C 82 173.200 175.744 -2.544 1
1 925 . 15 1 1 A 82 82 PHE CA C 82 57.800 56.014 1.786 1
1 926 . 15 1 1 A 82 82 PHE CB C 82 40.100 42.387 -2.287 1
1 932 . 15 1 1 A 82 82 PHE N N 82 127.900 124.871 3.029 1
1 933 . 15 1 1 A 83 83 GLU H H 83 7.590 8.641 -1.051 1
1 934 . 15 1 1 A 83 83 GLU HA H 83 4.120 4.089 0.031 1
1 939 . 15 1 1 A 83 83 GLU C C 83 177.500 176.261 1.239 1
1 940 . 15 1 1 A 83 83 GLU CA C 83 58.900 58.550 0.350 1
1 941 . 15 1 1 A 83 83 GLU CB C 83 29.900 30.074 -0.174 1
1 943 . 15 1 1 A 83 83 GLU N N 83 119.400 123.446 -4.046 1
1 944 . 15 1 1 A 84 84 VAL H H 84 7.470 7.471 -0.001 1
1 945 . 15 1 1 A 84 84 VAL HA H 84 4.770 4.622 0.148 1
1 953 . 15 1 1 A 84 84 VAL C C 84 177.100 175.836 1.264 1
1 954 . 15 1 1 A 84 84 VAL CA C 84 58.500 58.917 -0.417 1
1 955 . 15 1 1 A 84 84 VAL CB C 84 36.000 35.232 0.768 1
1 958 . 15 1 1 A 84 84 VAL N N 84 108.000 114.549 -6.549 1
1 959 . 15 1 1 A 85 85 SER H H 85 8.980 9.117 -0.137 1
1 960 . 15 1 1 A 85 85 SER HA H 85 4.160 4.213 -0.053 1
1 963 . 15 1 1 A 85 85 SER C C 85 176.900 176.628 0.272 1
1 964 . 15 1 1 A 85 85 SER CA C 85 61.200 61.764 -0.564 1
1 965 . 15 1 1 A 85 85 SER CB C 85 62.600 62.862 -0.262 1
1 966 . 15 1 1 A 85 85 SER N N 85 120.300 121.273 -0.973 1
1 967 . 15 1 1 A 86 86 ALA H H 86 8.370 8.353 0.017 1
1 968 . 15 1 1 A 86 86 ALA HA H 86 4.000 3.937 0.063 1
1 972 . 15 1 1 A 86 86 ALA C C 86 180.500 179.756 0.744 1
1 973 . 15 1 1 A 86 86 ALA CA C 86 55.600 55.432 0.168 1
1 974 . 15 1 1 A 86 86 ALA CB C 86 18.500 18.347 0.153 1
1 975 . 15 1 1 A 86 86 ALA N N 86 121.800 123.628 -1.828 1
1 976 . 15 1 1 A 87 87 GLU H H 87 6.920 7.991 -1.071 1
1 977 . 15 1 1 A 87 87 GLU HA H 87 3.640 3.949 -0.309 1
1 982 . 15 1 1 A 87 87 GLU C C 87 176.700 178.058 -1.358 1
1 983 . 15 1 1 A 87 87 GLU CA C 87 58.000 58.756 -0.756 1
1 984 . 15 1 1 A 87 87 GLU CB C 87 29.300 29.091 0.209 1
1 986 . 15 1 1 A 87 87 GLU N N 87 114.800 119.029 -4.229 1
1 987 . 15 1 1 A 88 88 LYS H H 88 6.520 7.776 -1.256 1
1 988 . 15 1 1 A 88 88 LYS HA H 88 3.140 3.960 -0.820 1
1 997 . 15 1 1 A 88 88 LYS C C 88 178.100 178.870 -0.770 1
1 998 . 15 1 1 A 88 88 LYS CA C 88 59.700 59.209 0.491 1
1 999 . 15 1 1 A 88 88 LYS CB C 88 32.300 32.335 -0.035 1
1 1003 . 15 1 1 A 88 88 LYS N N 88 119.900 119.802 0.098 1
1 1004 . 15 1 1 A 89 89 LEU H H 89 7.920 7.701 0.219 1
1 1005 . 15 1 1 A 89 89 LEU HA H 89 4.080 4.085 -0.005 1
1 1015 . 15 1 1 A 89 89 LEU C C 89 179.900 179.498 0.402 1
1 1016 . 15 1 1 A 89 89 LEU CA C 89 58.000 58.094 -0.094 1
1 1017 . 15 1 1 A 89 89 LEU CB C 89 41.500 41.944 -0.444 1
1 1021 . 15 1 1 A 89 89 LEU N N 89 118.200 119.527 -1.327 1
1 1022 . 15 1 1 A 90 90 ILE H H 90 7.570 7.699 -0.129 1
1 1023 . 15 1 1 A 90 90 ILE HA H 90 3.710 3.649 0.061 1
1 1033 . 15 1 1 A 90 90 ILE C C 90 178.000 178.158 -0.158 1
1 1034 . 15 1 1 A 90 90 ILE CA C 90 64.700 65.022 -0.322 1
1 1035 . 15 1 1 A 90 90 ILE CB C 90 37.600 37.487 0.113 1
1 1039 . 15 1 1 A 90 90 ILE N N 90 120.400 119.177 1.223 1
1 1040 . 15 1 1 A 91 91 PHE H H 91 8.180 8.839 -0.659 1
1 1041 . 15 1 1 A 91 91 PHE HA H 91 3.920 3.806 0.114 1
1 1049 . 15 1 1 A 91 91 PHE C C 91 177.200 177.776 -0.576 1
1 1050 . 15 1 1 A 91 91 PHE CA C 91 61.600 61.790 -0.190 1
1 1051 . 15 1 1 A 91 91 PHE CB C 91 39.600 38.877 0.723 1
1 1057 . 15 1 1 A 91 91 PHE N N 91 120.100 120.463 -0.363 1
1 1058 . 15 1 1 A 92 92 GLU H H 92 8.470 8.381 0.089 1
1 1059 . 15 1 1 A 92 92 GLU HA H 92 3.620 4.095 -0.475 1
1 1064 . 15 1 1 A 92 92 GLU C C 92 179.100 178.975 0.125 1
1 1065 . 15 1 1 A 92 92 GLU CA C 92 60.100 58.631 1.469 1
1 1066 . 15 1 1 A 92 92 GLU CB C 92 29.300 29.309 -0.009 1
1 1068 . 15 1 1 A 92 92 GLU N N 92 118.800 117.487 1.313 1
1 1069 . 15 1 1 A 93 93 LEU H H 93 7.980 7.974 0.006 1
1 1070 . 15 1 1 A 93 93 LEU HA H 93 4.000 4.005 -0.005 1
1 1080 . 15 1 1 A 93 93 LEU C C 93 180.600 178.383 2.217 1
1 1081 . 15 1 1 A 93 93 LEU CA C 93 58.300 57.744 0.556 1
1 1082 . 15 1 1 A 93 93 LEU CB C 93 41.700 41.654 0.046 1
1 1086 . 15 1 1 A 93 93 LEU N N 93 120.800 122.284 -1.484 1
1 1087 . 15 1 1 A 94 94 LYS H H 94 8.340 7.908 0.432 1
1 1088 . 15 1 1 A 94 94 LYS HA H 94 3.990 3.811 0.179 1
1 1097 . 15 1 1 A 94 94 LYS C C 94 179.600 179.135 0.465 1
1 1098 . 15 1 1 A 94 94 LYS CA C 94 59.200 59.211 -0.011 1
1 1099 . 15 1 1 A 94 94 LYS CB C 94 33.100 32.079 1.021 1
1 1103 . 15 1 1 A 94 94 LYS N N 94 119.300 118.775 0.525 1
1 1104 . 15 1 1 A 95 95 THR H H 95 8.100 7.439 0.661 1
1 1105 . 15 1 1 A 95 95 THR HA H 95 3.640 3.374 0.266 1
1 1110 . 15 1 1 A 95 95 THR C C 95 176.800 176.346 0.454 1
1 1111 . 15 1 1 A 95 95 THR CA C 95 63.800 65.336 -1.536 1
1 1112 . 15 1 1 A 95 95 THR CB C 95 68.900 68.022 0.878 1
1 1114 . 15 1 1 A 95 95 THR N N 95 109.700 112.392 -2.692 1
1 1115 . 15 1 1 A 96 96 ARG H H 96 7.570 7.990 -0.420 1
1 1116 . 15 1 1 A 96 96 ARG HA H 96 4.060 3.921 0.139 1
1 1124 . 15 1 1 A 96 96 ARG C C 96 178.300 177.825 0.475 1
1 1125 . 15 1 1 A 96 96 ARG CA C 96 59.500 59.583 -0.083 1
1 1126 . 15 1 1 A 96 96 ARG CB C 96 29.800 29.913 -0.113 1
1 1130 . 15 1 1 A 96 96 ARG N N 96 123.200 122.367 0.833 1
1 1132 . 15 1 1 A 97 97 ALA H H 97 7.520 8.000 -0.480 1
1 1133 . 15 1 1 A 97 97 ALA HA H 97 4.130 4.012 0.118 1
1 1137 . 15 1 1 A 97 97 ALA C C 97 179.500 180.286 -0.786 1
1 1138 . 15 1 1 A 97 97 ALA CA C 97 54.100 54.890 -0.790 1
1 1139 . 15 1 1 A 97 97 ALA CB C 97 18.200 18.006 0.194 1
1 1140 . 15 1 1 A 97 97 ALA N N 97 119.700 121.699 -1.999 1
1 1141 . 15 1 1 A 98 98 LEU H H 98 7.370 8.030 -0.660 1
1 1142 . 15 1 1 A 98 98 LEU HA H 98 4.070 3.971 0.099 1
1 1152 . 15 1 1 A 98 98 LEU C C 98 178.800 178.420 0.380 1
1 1153 . 15 1 1 A 98 98 LEU CA C 98 56.500 57.968 -1.468 1
1 1154 . 15 1 1 A 98 98 LEU CB C 98 41.700 41.284 0.416 1
1 1158 . 15 1 1 A 98 98 LEU N N 98 118.300 120.526 -2.226 1
1 1159 . 15 1 1 A 99 99 ALA H H 99 7.940 8.351 -0.411 1
1 1160 . 15 1 1 A 99 99 ALA HA H 99 4.250 4.026 0.224 1
1 1164 . 15 1 1 A 99 99 ALA C C 99 179.100 178.918 0.182 1
1 1165 . 15 1 1 A 99 99 ALA CA C 99 53.600 54.949 -1.349 1
1 1166 . 15 1 1 A 99 99 ALA CB C 99 18.600 18.108 0.492 1
1 1167 . 15 1 1 A 99 99 ALA N N 99 122.100 120.507 1.593 1
1 1168 . 15 1 1 A 100 100 ARG H H 100 7.840 7.772 0.068 1
1 1169 . 15 1 1 A 100 100 ARG HA H 100 4.210 4.218 -0.008 1
1 1176 . 15 1 1 A 100 100 ARG C C 100 177.100 176.331 0.769 1
1 1177 . 15 1 1 A 100 100 ARG CA C 100 57.100 55.846 1.254 1
1 1178 . 15 1 1 A 100 100 ARG CB C 100 30.300 30.544 -0.244 1
1 1181 . 15 1 1 A 100 100 ARG N N 100 117.900 117.228 0.672 1
1 1182 . 15 1 1 A 101 101 LEU H H 101 7.890 7.692 0.198 1
1 1183 . 15 1 1 A 101 101 LEU HA H 101 4.240 3.833 0.407 1
1 1193 . 15 1 1 A 101 101 LEU C C 101 177.800 176.031 1.769 1
1 1194 . 15 1 1 A 101 101 LEU CA C 101 55.700 57.007 -1.307 1
1 1195 . 15 1 1 A 101 101 LEU CB C 101 41.900 40.744 1.156 1
1 1199 . 15 1 1 A 101 101 LEU N N 101 120.800 118.593 2.207 1
1 1200 . 15 1 1 A 102 102 GLU H H 102 8.040 8.352 -0.312 1
1 1201 . 15 1 1 A 102 102 GLU HA H 102 4.240 4.216 0.024 1
1 1206 . 15 1 1 A 102 102 GLU C C 102 176.500 176.217 0.283 1
1 1207 . 15 1 1 A 102 102 GLU CA C 102 56.600 57.240 -0.640 1
1 1208 . 15 1 1 A 102 102 GLU CB C 102 30.000 30.557 -0.557 1
1 1210 . 15 1 1 A 102 102 GLU N N 102 120.100 118.867 1.233 1
1 1211 . 15 1 1 A 103 103 HIS H H 103 8.200 8.504 -0.304 1
1 1212 . 15 1 1 A 103 103 HIS HA H 103 4.540 4.395 0.145 1
1 1216 . 15 1 1 A 103 103 HIS CA C 103 56.100 56.514 -0.414 1
1 1217 . 15 1 1 A 103 103 HIS CB C 103 29.900 30.475 -0.575 1
1 1218 . 15 1 1 A 103 103 HIS N N 103 119.200 121.557 -2.357 1
1 1219 . 15 1 1 A 107 107 HIS HA H 107 4.560 5.009 -0.449 1
1 1222 . 15 1 1 A 107 107 HIS C C 107 173.800 174.640 -0.840 1
1 1223 . 15 1 1 A 107 107 HIS CA C 107 55.800 54.878 0.922 1
1 1224 . 15 1 1 A 107 107 HIS CB C 107 29.900 30.672 -0.772 1
1 1 . 16 1 1 A 4 4 GLN HA H 4 4.360 4.376 -0.016 1
1 7 . 16 1 1 A 4 4 GLN C C 4 176.100 176.440 -0.340 1
1 8 . 16 1 1 A 4 4 GLN CA C 4 56.000 57.840 -1.840 1
1 9 . 16 1 1 A 4 4 GLN CB C 4 29.300 29.161 0.139 1
1 11 . 16 1 1 A 5 5 THR H H 5 8.280 7.858 0.422 1
1 12 . 16 1 1 A 5 5 THR HA H 5 4.320 4.300 0.020 1
1 17 . 16 1 1 A 5 5 THR C C 5 174.300 175.399 -1.099 1
1 18 . 16 1 1 A 5 5 THR CA C 5 62.200 64.041 -1.841 1
1 19 . 16 1 1 A 5 5 THR CB C 5 69.600 69.373 0.227 1
1 21 . 16 1 1 A 5 5 THR N N 5 115.700 113.472 2.228 1
1 22 . 16 1 1 A 6 6 CYS H H 6 8.410 8.542 -0.132 1
1 23 . 16 1 1 A 6 6 CYS HA H 6 4.540 4.796 -0.256 1
1 26 . 16 1 1 A 6 6 CYS C C 6 174.400 174.414 -0.014 1
1 27 . 16 1 1 A 6 6 CYS CA C 6 58.200 58.066 0.134 1
1 28 . 16 1 1 A 6 6 CYS CB C 6 27.800 27.957 -0.157 1
1 29 . 16 1 1 A 6 6 CYS N N 6 121.900 122.487 -0.587 1
1 30 . 16 1 1 A 7 7 VAL H H 7 8.290 7.564 0.726 1
1 31 . 16 1 1 A 7 7 VAL HA H 7 4.090 4.578 -0.488 1
1 39 . 16 1 1 A 7 7 VAL C C 7 176.100 175.002 1.098 1
1 40 . 16 1 1 A 7 7 VAL CA C 7 62.400 61.549 0.851 1
1 41 . 16 1 1 A 7 7 VAL CB C 7 32.500 33.172 -0.672 1
1 44 . 16 1 1 A 7 7 VAL N N 7 122.700 121.138 1.562 1
1 45 . 16 1 1 A 8 8 GLU H H 8 8.510 8.416 0.094 1
1 46 . 16 1 1 A 8 8 GLU HA H 8 4.240 4.740 -0.500 1
1 51 . 16 1 1 A 8 8 GLU C C 8 176.100 176.186 -0.086 1
1 52 . 16 1 1 A 8 8 GLU CA C 8 56.900 55.724 1.176 1
1 53 . 16 1 1 A 8 8 GLU CB C 8 30.100 31.813 -1.713 1
1 55 . 16 1 1 A 8 8 GLU N N 8 124.300 124.380 -0.080 1
1 56 . 16 1 1 A 9 9 ASN H H 9 8.390 9.151 -0.761 1
1 57 . 16 1 1 A 9 9 ASN HA H 9 4.650 4.625 0.025 1
1 62 . 16 1 1 A 9 9 ASN C C 9 174.900 174.716 0.184 1
1 63 . 16 1 1 A 9 9 ASN CA C 9 53.400 55.002 -1.602 1
1 64 . 16 1 1 A 9 9 ASN CB C 9 39.000 38.140 0.860 1
1 66 . 16 1 1 A 9 9 ASN N N 9 119.300 118.824 0.476 1
1 68 . 16 1 1 A 10 10 GLU H H 10 8.330 8.233 0.097 1
1 69 . 16 1 1 A 10 10 GLU HA H 10 4.250 4.342 -0.092 1
1 74 . 16 1 1 A 10 10 GLU C C 10 176.400 177.053 -0.653 1
1 75 . 16 1 1 A 10 10 GLU CA C 10 56.800 57.127 -0.327 1
1 76 . 16 1 1 A 10 10 GLU CB C 10 30.200 30.078 0.122 1
1 78 . 16 1 1 A 10 10 GLU N N 10 121.400 120.836 0.564 1
1 79 . 16 1 1 A 11 11 VAL H H 11 8.250 8.633 -0.383 1
1 80 . 16 1 1 A 11 11 VAL HA H 11 4.090 3.650 0.440 1
1 88 . 16 1 1 A 11 11 VAL C C 11 176.100 175.474 0.626 1
1 89 . 16 1 1 A 11 11 VAL CA C 11 62.400 65.432 -3.032 1
1 90 . 16 1 1 A 11 11 VAL CB C 11 32.500 30.094 2.406 1
1 93 . 16 1 1 A 11 11 VAL N N 11 121.900 117.072 4.828 1
1 94 . 16 1 1 A 12 12 CYS H H 12 8.450 8.644 -0.194 1
1 95 . 16 1 1 A 12 12 CYS HA H 12 4.500 4.416 0.084 1
1 98 . 16 1 1 A 12 12 CYS C C 12 174.400 174.896 -0.496 1
1 99 . 16 1 1 A 12 12 CYS CA C 12 58.300 59.625 -1.325 1
1 100 . 16 1 1 A 12 12 CYS CB C 12 28.000 28.321 -0.321 1
1 101 . 16 1 1 A 12 12 CYS N N 12 123.800 121.148 2.652 1
1 102 . 16 1 1 A 13 13 GLU H H 13 8.560 8.517 0.043 1
1 103 . 16 1 1 A 13 13 GLU HA H 13 4.260 4.238 0.022 1
1 108 . 16 1 1 A 13 13 GLU C C 13 176.100 177.065 -0.965 1
1 109 . 16 1 1 A 13 13 GLU CA C 13 56.700 57.691 -0.991 1
1 110 . 16 1 1 A 13 13 GLU CB C 13 30.200 29.996 0.204 1
1 112 . 16 1 1 A 13 13 GLU N N 13 124.100 124.639 -0.539 1
1 113 . 16 1 1 A 14 14 ALA H H 14 8.400 8.528 -0.128 1
1 114 . 16 1 1 A 14 14 ALA HA H 14 4.350 4.369 -0.019 1
1 118 . 16 1 1 A 14 14 ALA C C 14 177.700 177.203 0.497 1
1 119 . 16 1 1 A 14 14 ALA CA C 14 52.600 54.394 -1.794 1
1 120 . 16 1 1 A 14 14 ALA CB C 14 19.100 19.143 -0.043 1
1 121 . 16 1 1 A 14 14 ALA N N 14 125.400 125.327 0.073 1
1 122 . 16 1 1 A 15 15 CYS H H 15 8.370 7.731 0.639 1
1 123 . 16 1 1 A 15 15 CYS HA H 15 4.490 4.599 -0.109 1
1 126 . 16 1 1 A 15 15 CYS C C 15 175.100 175.656 -0.556 1
1 127 . 16 1 1 A 15 15 CYS CA C 15 58.400 58.682 -0.282 1
1 128 . 16 1 1 A 15 15 CYS CB C 15 28.000 28.504 -0.504 1
1 129 . 16 1 1 A 15 15 CYS N N 15 118.500 116.364 2.136 1
1 130 . 16 1 1 A 16 16 GLY H H 16 8.480 8.631 -0.151 1
1 131 . 16 1 1 A 16 16 GLY HA2 H 16 3.970 4.057 -0.087 1
1 132 . 16 1 1 A 16 16 GLY HA3 H 16 3.970 4.063 -0.093 1
1 133 . 16 1 1 A 16 16 GLY C C 16 174.100 172.698 1.402 1
1 134 . 16 1 1 A 16 16 GLY CA C 16 45.400 44.806 0.594 1
1 135 . 16 1 1 A 16 16 GLY N N 16 111.300 110.749 0.551 1
1 136 . 16 1 1 A 17 17 CYS H H 17 8.300 8.305 -0.005 1
1 137 . 16 1 1 A 17 17 CYS HA H 17 4.500 4.394 0.106 1
1 140 . 16 1 1 A 17 17 CYS C C 17 174.500 174.435 0.065 1
1 141 . 16 1 1 A 17 17 CYS CA C 17 58.300 59.572 -1.272 1
1 142 . 16 1 1 A 17 17 CYS CB C 17 28.100 28.054 0.046 1
1 143 . 16 1 1 A 17 17 CYS N N 17 118.900 119.594 -0.694 1
1 144 . 16 1 1 A 18 18 ALA H H 18 8.520 8.481 0.039 1
1 145 . 16 1 1 A 18 18 ALA HA H 18 4.260 3.897 0.363 1
1 149 . 16 1 1 A 18 18 ALA C C 18 178.000 178.512 -0.512 1
1 150 . 16 1 1 A 18 18 ALA CA C 18 52.900 53.688 -0.788 1
1 151 . 16 1 1 A 18 18 ALA CB C 18 19.000 18.854 0.146 1
1 152 . 16 1 1 A 18 18 ALA N N 18 126.800 127.601 -0.801 1
1 153 . 16 1 1 A 19 19 GLY H H 19 8.310 8.762 -0.452 1
1 154 . 16 1 1 A 19 19 GLY HA2 H 19 3.890 3.841 0.049 1
1 155 . 16 1 1 A 19 19 GLY HA3 H 19 3.890 3.841 0.049 1
1 156 . 16 1 1 A 19 19 GLY C C 19 174.000 174.274 -0.274 1
1 157 . 16 1 1 A 19 19 GLY CA C 19 45.000 45.775 -0.775 1
1 158 . 16 1 1 A 19 19 GLY N N 19 108.100 110.352 -2.252 1
1 159 . 16 1 1 A 20 20 GLU H H 20 8.180 8.048 0.132 1
1 160 . 16 1 1 A 20 20 GLU HA H 20 4.270 4.305 -0.035 1
1 165 . 16 1 1 A 20 20 GLU C C 20 176.400 177.320 -0.920 1
1 166 . 16 1 1 A 20 20 GLU CA C 20 56.200 56.761 -0.561 1
1 167 . 16 1 1 A 20 20 GLU CB C 20 30.100 30.259 -0.159 1
1 169 . 16 1 1 A 20 20 GLU N N 20 120.500 120.892 -0.392 1
1 170 . 16 1 1 A 21 21 ILE H H 21 8.160 8.836 -0.676 1
1 171 . 16 1 1 A 21 21 ILE HA H 21 4.020 4.619 -0.599 1
1 181 . 16 1 1 A 21 21 ILE C C 21 176.400 175.648 0.752 1
1 182 . 16 1 1 A 21 21 ILE CA C 21 61.200 60.858 0.342 1
1 183 . 16 1 1 A 21 21 ILE CB C 21 38.200 38.663 -0.463 1
1 187 . 16 1 1 A 21 21 ILE N N 21 122.000 123.281 -1.281 1
1 188 . 16 1 1 A 22 22 GLY H H 22 8.260 7.401 0.859 1
1 189 . 16 1 1 A 22 22 GLY HA2 H 22 3.740 4.080 -0.340 1
1 190 . 16 1 1 A 22 22 GLY HA3 H 22 3.880 4.105 -0.225 1
1 191 . 16 1 1 A 22 22 GLY C C 22 173.200 172.254 0.946 1
1 192 . 16 1 1 A 22 22 GLY CA C 22 45.100 44.221 0.879 1
1 193 . 16 1 1 A 22 22 GLY N N 22 112.500 110.061 2.439 1
1 194 . 16 1 1 A 23 23 PHE H H 23 7.890 8.585 -0.695 1
1 195 . 16 1 1 A 23 23 PHE HA H 23 4.550 5.139 -0.589 1
1 202 . 16 1 1 A 23 23 PHE CA C 23 58.100 56.348 1.752 1
1 203 . 16 1 1 A 23 23 PHE CB C 23 41.200 41.748 -0.548 1
1 206 . 16 1 1 A 23 23 PHE N N 23 119.700 121.223 -1.523 1
1 207 . 16 1 1 A 24 24 ILE HA H 24 3.970 4.016 -0.046 1
1 217 . 16 1 1 A 24 24 ILE CA C 24 62.400 60.448 1.952 1
1 218 . 16 1 1 A 24 24 ILE CB C 24 37.700 38.544 -0.844 1
1 222 . 16 1 1 A 25 25 ILE H H 25 8.950 8.456 0.494 1
1 223 . 16 1 1 A 25 25 ILE HA H 25 3.740 3.726 0.014 1
1 233 . 16 1 1 A 25 25 ILE C C 25 175.200 175.301 -0.101 1
1 234 . 16 1 1 A 25 25 ILE CA C 25 62.700 61.324 1.376 1
1 235 . 16 1 1 A 25 25 ILE CB C 25 38.200 37.052 1.148 1
1 239 . 16 1 1 A 25 25 ILE N N 25 124.800 119.994 4.806 1
1 240 . 16 1 1 A 26 26 ARG H H 26 8.040 8.319 -0.279 1
1 241 . 16 1 1 A 26 26 ARG HA H 26 4.140 4.454 -0.314 1
1 248 . 16 1 1 A 26 26 ARG C C 26 175.900 176.266 -0.366 1
1 249 . 16 1 1 A 26 26 ARG CA C 26 55.300 56.599 -1.299 1
1 250 . 16 1 1 A 26 26 ARG CB C 26 31.100 30.963 0.137 1
1 253 . 16 1 1 A 26 26 ARG N N 26 128.100 125.151 2.949 1
1 254 . 16 1 1 A 27 27 GLU H H 27 8.560 8.762 -0.202 1
1 255 . 16 1 1 A 27 27 GLU HA H 27 4.030 4.351 -0.321 1
1 260 . 16 1 1 A 27 27 GLU C C 27 176.300 176.809 -0.509 1
1 261 . 16 1 1 A 27 27 GLU CA C 27 57.000 57.878 -0.878 1
1 262 . 16 1 1 A 27 27 GLU CB C 27 30.000 30.032 -0.032 1
1 264 . 16 1 1 A 27 27 GLU N N 27 123.500 121.703 1.797 1
1 265 . 16 1 1 A 28 28 GLY H H 28 8.420 8.321 0.099 1
1 266 . 16 1 1 A 28 28 GLY HA2 H 28 4.050 4.204 -0.154 1
1 267 . 16 1 1 A 28 28 GLY HA3 H 28 4.220 4.206 0.014 1
1 268 . 16 1 1 A 28 28 GLY C C 28 174.000 174.075 -0.075 1
1 269 . 16 1 1 A 28 28 GLY CA C 28 45.400 45.858 -0.458 1
1 270 . 16 1 1 A 28 28 GLY N N 28 108.300 110.580 -2.280 1
1 271 . 16 1 1 A 29 29 ASP H H 29 8.690 9.111 -0.421 1
1 272 . 16 1 1 A 29 29 ASP HA H 29 4.430 4.462 -0.032 1
1 275 . 16 1 1 A 29 29 ASP C C 29 175.200 177.009 -1.809 1
1 276 . 16 1 1 A 29 29 ASP CA C 29 56.300 56.807 -0.507 1
1 277 . 16 1 1 A 29 29 ASP CB C 29 40.300 39.929 0.371 1
1 278 . 16 1 1 A 29 29 ASP N N 29 119.800 119.191 0.609 1
1 279 . 16 1 1 A 30 30 ASP H H 30 8.630 8.038 0.592 1
1 280 . 16 1 1 A 30 30 ASP HA H 30 4.260 4.729 -0.469 1
1 283 . 16 1 1 A 30 30 ASP C C 30 174.300 174.652 -0.352 1
1 284 . 16 1 1 A 30 30 ASP CA C 30 52.600 54.879 -2.279 1
1 285 . 16 1 1 A 30 30 ASP CB C 30 39.200 41.141 -1.941 1
1 286 . 16 1 1 A 30 30 ASP N N 30 114.900 117.012 -2.112 1
1 287 . 16 1 1 A 31 31 VAL H H 31 7.550 7.504 0.046 1
1 288 . 16 1 1 A 31 31 VAL HA H 31 5.300 4.721 0.579 1
1 296 . 16 1 1 A 31 31 VAL C C 31 175.800 174.660 1.140 1
1 297 . 16 1 1 A 31 31 VAL CA C 31 60.700 60.815 -0.115 1
1 298 . 16 1 1 A 31 31 VAL CB C 31 35.000 34.494 0.506 1
1 301 . 16 1 1 A 31 31 VAL N N 31 120.500 120.009 0.491 1
1 302 . 16 1 1 A 32 32 ALA H H 32 9.580 9.280 0.300 1
1 303 . 16 1 1 A 32 32 ALA HA H 32 5.030 5.293 -0.263 1
1 307 . 16 1 1 A 32 32 ALA C C 32 175.800 175.772 0.028 1
1 308 . 16 1 1 A 32 32 ALA CA C 32 50.000 50.298 -0.298 1
1 309 . 16 1 1 A 32 32 ALA CB C 32 22.800 23.556 -0.756 1
1 310 . 16 1 1 A 32 32 ALA N N 32 130.500 129.032 1.468 1
1 311 . 16 1 1 A 33 33 GLU H H 33 9.270 8.721 0.549 1
1 312 . 16 1 1 A 33 33 GLU HA H 33 5.140 4.873 0.267 1
1 317 . 16 1 1 A 33 33 GLU C C 33 175.900 175.997 -0.097 1
1 318 . 16 1 1 A 33 33 GLU CA C 33 55.300 55.945 -0.645 1
1 319 . 16 1 1 A 33 33 GLU CB C 33 31.500 30.710 0.790 1
1 321 . 16 1 1 A 33 33 GLU N N 33 124.500 120.006 4.494 1
1 322 . 16 1 1 A 34 34 VAL H H 34 9.140 8.985 0.155 1
1 323 . 16 1 1 A 34 34 VAL HA H 34 4.580 5.067 -0.487 1
1 331 . 16 1 1 A 34 34 VAL C C 34 174.300 174.435 -0.135 1
1 332 . 16 1 1 A 34 34 VAL CA C 34 60.800 60.628 0.172 1
1 333 . 16 1 1 A 34 34 VAL CB C 34 35.700 35.204 0.496 1
1 336 . 16 1 1 A 34 34 VAL N N 34 124.700 123.757 0.943 1
1 337 . 16 1 1 A 35 35 SER H H 35 8.450 8.941 -0.491 1
1 338 . 16 1 1 A 35 35 SER HA H 35 5.060 5.337 -0.277 1
1 341 . 16 1 1 A 35 35 SER C C 35 172.100 172.730 -0.630 1
1 342 . 16 1 1 A 35 35 SER CA C 35 56.900 56.712 0.188 1
1 343 . 16 1 1 A 35 35 SER CB C 35 64.800 65.315 -0.515 1
1 344 . 16 1 1 A 35 35 SER N N 35 122.100 122.146 -0.046 1
1 345 . 16 1 1 A 36 36 LEU H H 36 8.540 8.069 0.471 1
1 346 . 16 1 1 A 36 36 LEU HA H 36 4.570 4.835 -0.265 1
1 356 . 16 1 1 A 36 36 LEU C C 36 174.200 175.270 -1.070 1
1 357 . 16 1 1 A 36 36 LEU CA C 36 52.600 53.130 -0.530 1
1 358 . 16 1 1 A 36 36 LEU CB C 36 45.600 45.124 0.476 1
1 362 . 16 1 1 A 36 36 LEU N N 36 123.600 125.459 -1.859 1
1 363 . 16 1 1 A 37 37 PHE H H 37 8.400 8.649 -0.249 1
1 364 . 16 1 1 A 37 37 PHE HA H 37 5.300 5.547 -0.247 1
1 369 . 16 1 1 A 37 37 PHE C C 37 175.600 176.186 -0.586 1
1 370 . 16 1 1 A 37 37 PHE CA C 37 56.300 55.663 0.637 1
1 371 . 16 1 1 A 37 37 PHE CB C 37 42.000 42.185 -0.185 1
1 374 . 16 1 1 A 37 37 PHE N N 37 118.300 120.150 -1.850 1
1 375 . 16 1 1 A 38 38 GLY H H 38 8.340 8.727 -0.387 1
1 376 . 16 1 1 A 38 38 GLY HA2 H 38 3.750 4.376 -0.626 1
1 377 . 16 1 1 A 38 38 GLY HA3 H 38 4.210 4.402 -0.192 1
1 378 . 16 1 1 A 38 38 GLY CA C 38 45.600 45.935 -0.335 1
1 379 . 16 1 1 A 38 38 GLY N N 38 109.300 109.762 -0.462 1
1 380 . 16 1 1 A 39 39 SER HA H 39 4.210 4.544 -0.334 1
1 383 . 16 1 1 A 39 39 SER C C 39 173.700 173.858 -0.158 1
1 384 . 16 1 1 A 39 39 SER CA C 39 60.100 58.901 1.199 1
1 385 . 16 1 1 A 39 39 SER CB C 39 63.900 63.514 0.386 1
1 386 . 16 1 1 A 40 40 ASP H H 40 7.670 8.021 -0.351 1
1 387 . 16 1 1 A 40 40 ASP HA H 40 4.810 4.681 0.129 1
1 390 . 16 1 1 A 40 40 ASP C C 40 175.500 177.015 -1.515 1
1 391 . 16 1 1 A 40 40 ASP CA C 40 52.900 54.215 -1.315 1
1 392 . 16 1 1 A 40 40 ASP CB C 40 41.300 42.133 -0.833 1
1 393 . 16 1 1 A 40 40 ASP N N 40 115.800 121.378 -5.578 1
1 394 . 16 1 1 A 41 41 LYS H H 41 8.260 8.593 -0.333 1
1 395 . 16 1 1 A 41 41 LYS HA H 41 3.780 3.944 -0.164 1
1 404 . 16 1 1 A 41 41 LYS C C 41 177.100 178.046 -0.946 1
1 405 . 16 1 1 A 41 41 LYS CA C 41 60.500 59.673 0.827 1
1 406 . 16 1 1 A 41 41 LYS CB C 41 33.400 31.964 1.436 1
1 410 . 16 1 1 A 41 41 LYS N N 41 120.200 126.078 -5.878 1
1 411 . 16 1 1 A 42 42 ALA H H 42 8.420 7.949 0.471 1
1 412 . 16 1 1 A 42 42 ALA HA H 42 4.180 4.174 0.006 1
1 416 . 16 1 1 A 42 42 ALA C C 42 181.900 179.610 2.290 1
1 417 . 16 1 1 A 42 42 ALA CA C 42 55.400 54.989 0.411 1
1 418 . 16 1 1 A 42 42 ALA CB C 42 17.700 18.145 -0.445 1
1 419 . 16 1 1 A 42 42 ALA N N 42 120.700 122.110 -1.410 1
1 420 . 16 1 1 A 43 43 HIS H H 43 8.490 7.934 0.556 1
1 421 . 16 1 1 A 43 43 HIS HA H 43 4.330 4.281 0.049 1
1 424 . 16 1 1 A 43 43 HIS C C 43 178.800 176.886 1.914 1
1 425 . 16 1 1 A 43 43 HIS CA C 43 59.600 59.958 -0.358 1
1 426 . 16 1 1 A 43 43 HIS CB C 43 30.300 29.797 0.503 1
1 427 . 16 1 1 A 43 43 HIS N N 43 118.000 118.267 -0.267 1
1 428 . 16 1 1 A 44 44 LEU H H 44 8.340 8.165 0.175 1
1 429 . 16 1 1 A 44 44 LEU HA H 44 3.750 3.655 0.095 1
1 439 . 16 1 1 A 44 44 LEU C C 44 178.500 179.018 -0.518 1
1 440 . 16 1 1 A 44 44 LEU CA C 44 58.200 57.858 0.342 1
1 441 . 16 1 1 A 44 44 LEU CB C 44 42.100 41.280 0.820 1
1 445 . 16 1 1 A 44 44 LEU N N 44 121.500 119.210 2.290 1
1 446 . 16 1 1 A 45 45 GLU H H 45 8.880 8.306 0.574 1
1 447 . 16 1 1 A 45 45 GLU HA H 45 3.750 4.015 -0.265 1
1 452 . 16 1 1 A 45 45 GLU C C 45 180.200 180.014 0.186 1
1 453 . 16 1 1 A 45 45 GLU CA C 45 60.000 59.383 0.617 1
1 454 . 16 1 1 A 45 45 GLU CB C 45 29.000 29.134 -0.134 1
1 456 . 16 1 1 A 45 45 GLU N N 45 118.300 118.294 0.006 1
1 457 . 16 1 1 A 46 46 GLY H H 46 7.970 8.099 -0.129 1
1 458 . 16 1 1 A 46 46 GLY HA2 H 46 3.920 3.654 0.266 1
1 459 . 16 1 1 A 46 46 GLY HA3 H 46 3.920 3.695 0.225 1
1 460 . 16 1 1 A 46 46 GLY C C 46 176.500 175.814 0.686 1
1 461 . 16 1 1 A 46 46 GLY CA C 46 46.900 47.346 -0.446 1
1 462 . 16 1 1 A 46 46 GLY N N 46 108.100 109.267 -1.167 1
1 463 . 16 1 1 A 47 47 LYS H H 47 7.690 7.516 0.174 1
1 464 . 16 1 1 A 47 47 LYS HA H 47 4.320 3.937 0.383 1
1 473 . 16 1 1 A 47 47 LYS C C 47 179.400 179.199 0.201 1
1 474 . 16 1 1 A 47 47 LYS CA C 47 58.400 59.245 -0.845 1
1 475 . 16 1 1 A 47 47 LYS CB C 47 32.100 32.028 0.072 1
1 479 . 16 1 1 A 47 47 LYS N N 47 122.400 122.281 0.119 1
1 480 . 16 1 1 A 48 48 LEU H H 48 8.550 7.779 0.771 1
1 481 . 16 1 1 A 48 48 LEU HA H 48 3.980 3.885 0.095 1
1 491 . 16 1 1 A 48 48 LEU C C 48 178.300 178.301 -0.001 1
1 492 . 16 1 1 A 48 48 LEU CA C 48 57.900 57.650 0.250 1
1 493 . 16 1 1 A 48 48 LEU CB C 48 40.800 41.051 -0.251 1
1 497 . 16 1 1 A 48 48 LEU N N 48 120.600 121.268 -0.668 1
1 498 . 16 1 1 A 49 49 ALA H H 49 7.810 8.285 -0.475 1
1 499 . 16 1 1 A 49 49 ALA HA H 49 4.000 3.951 0.049 1
1 503 . 16 1 1 A 49 49 ALA C C 49 180.400 179.991 0.409 1
1 504 . 16 1 1 A 49 49 ALA CA C 49 55.600 55.330 0.270 1
1 505 . 16 1 1 A 49 49 ALA CB C 49 17.900 18.331 -0.431 1
1 506 . 16 1 1 A 49 49 ALA N N 49 120.000 119.891 0.109 1
1 507 . 16 1 1 A 50 50 GLU H H 50 7.520 7.421 0.099 1
1 508 . 16 1 1 A 50 50 GLU HA H 50 4.130 4.117 0.013 1
1 513 . 16 1 1 A 50 50 GLU C C 50 179.600 179.244 0.356 1
1 514 . 16 1 1 A 50 50 GLU CA C 50 59.200 58.746 0.454 1
1 515 . 16 1 1 A 50 50 GLU CB C 50 29.800 29.899 -0.099 1
1 517 . 16 1 1 A 50 50 GLU N N 50 117.300 118.951 -1.651 1
1 518 . 16 1 1 A 51 51 TYR H H 51 7.860 8.210 -0.350 1
1 519 . 16 1 1 A 51 51 TYR HA H 51 3.900 4.396 -0.496 1
1 526 . 16 1 1 A 51 51 TYR C C 51 177.900 178.556 -0.656 1
1 527 . 16 1 1 A 51 51 TYR CA C 51 62.400 61.094 1.306 1
1 528 . 16 1 1 A 51 51 TYR CB C 51 38.200 38.044 0.156 1
1 533 . 16 1 1 A 51 51 TYR N N 51 120.300 119.482 0.818 1
1 534 . 16 1 1 A 52 52 ILE H H 52 8.590 8.394 0.196 1
1 535 . 16 1 1 A 52 52 ILE HA H 52 3.420 3.685 -0.265 1
1 545 . 16 1 1 A 52 52 ILE C C 52 177.400 178.066 -0.666 1
1 546 . 16 1 1 A 52 52 ILE CA C 52 66.200 65.350 0.850 1
1 547 . 16 1 1 A 52 52 ILE CB C 52 38.200 37.971 0.229 1
1 551 . 16 1 1 A 52 52 ILE N N 52 120.100 120.820 -0.720 1
1 552 . 16 1 1 A 53 53 SER H H 53 7.860 7.797 0.063 1
1 553 . 16 1 1 A 53 53 SER HA H 53 4.080 4.117 -0.037 1
1 556 . 16 1 1 A 53 53 SER C C 53 177.700 176.551 1.149 1
1 557 . 16 1 1 A 53 53 SER CA C 53 61.800 62.370 -0.570 1
1 558 . 16 1 1 A 53 53 SER CB C 53 62.600 63.218 -0.618 1
1 559 . 16 1 1 A 53 53 SER N N 53 113.100 116.178 -3.078 1
1 560 . 16 1 1 A 54 54 LEU H H 54 7.610 7.952 -0.342 1
1 561 . 16 1 1 A 54 54 LEU HA H 54 4.090 4.112 -0.022 1
1 571 . 16 1 1 A 54 54 LEU C C 54 178.600 179.169 -0.569 1
1 572 . 16 1 1 A 54 54 LEU CA C 54 58.000 57.718 0.282 1
1 573 . 16 1 1 A 54 54 LEU CB C 54 42.200 41.350 0.850 1
1 577 . 16 1 1 A 54 54 LEU N N 54 121.200 121.181 0.019 1
1 578 . 16 1 1 A 55 55 ALA H H 55 8.640 8.615 0.025 1
1 579 . 16 1 1 A 55 55 ALA HA H 55 3.860 4.086 -0.226 1
1 583 . 16 1 1 A 55 55 ALA C C 55 179.100 179.148 -0.048 1
1 584 . 16 1 1 A 55 55 ALA CA C 55 56.200 55.537 0.663 1
1 585 . 16 1 1 A 55 55 ALA CB C 55 19.000 18.264 0.736 1
1 586 . 16 1 1 A 55 55 ALA N N 55 121.900 121.956 -0.056 1
1 587 . 16 1 1 A 56 56 LYS H H 56 8.120 8.476 -0.356 1
1 588 . 16 1 1 A 56 56 LYS HA H 56 4.220 4.062 0.158 1
1 597 . 16 1 1 A 56 56 LYS C C 56 178.800 179.011 -0.211 1
1 598 . 16 1 1 A 56 56 LYS CA C 56 58.300 59.748 -1.448 1
1 599 . 16 1 1 A 56 56 LYS CB C 56 32.900 32.476 0.424 1
1 603 . 16 1 1 A 56 56 LYS N N 56 115.600 118.661 -3.061 1
1 604 . 16 1 1 A 57 57 GLN H H 57 7.590 7.707 -0.117 1
1 605 . 16 1 1 A 57 57 GLN HA H 57 4.010 4.059 -0.049 1
1 612 . 16 1 1 A 57 57 GLN C C 57 178.300 179.115 -0.815 1
1 613 . 16 1 1 A 57 57 GLN CA C 57 58.400 58.832 -0.432 1
1 614 . 16 1 1 A 57 57 GLN CB C 57 28.600 28.539 0.061 1
1 617 . 16 1 1 A 57 57 GLN N N 57 117.900 118.185 -0.285 1
1 619 . 16 1 1 A 58 58 VAL H H 58 7.650 7.731 -0.081 1
1 620 . 16 1 1 A 58 58 VAL HA H 58 3.750 3.818 -0.068 1
1 628 . 16 1 1 A 58 58 VAL C C 58 176.400 175.953 0.447 1
1 629 . 16 1 1 A 58 58 VAL CA C 58 65.500 66.049 -0.549 1
1 630 . 16 1 1 A 58 58 VAL CB C 58 32.000 32.310 -0.310 1
1 633 . 16 1 1 A 58 58 VAL N N 58 120.200 117.972 2.228 1
1 634 . 16 1 1 A 59 59 TYR H H 59 8.700 8.124 0.576 1
1 635 . 16 1 1 A 59 59 TYR HA H 59 5.040 4.886 0.154 1
1 642 . 16 1 1 A 59 59 TYR C C 59 174.100 174.112 -0.012 1
1 643 . 16 1 1 A 59 59 TYR CA C 59 55.500 56.619 -1.119 1
1 644 . 16 1 1 A 59 59 TYR CB C 59 40.500 41.843 -1.343 1
1 649 . 16 1 1 A 59 59 TYR N N 59 120.400 120.367 0.033 1
1 650 . 16 1 1 A 60 60 ALA H H 60 8.900 8.106 0.794 1
1 651 . 16 1 1 A 60 60 ALA HA H 60 4.230 4.170 0.060 1
1 655 . 16 1 1 A 60 60 ALA CA C 60 55.400 52.047 3.353 1
1 656 . 16 1 1 A 60 60 ALA CB C 60 18.100 19.265 -1.165 1
1 657 . 16 1 1 A 60 60 ALA N N 60 131.000 128.709 2.291 1
1 658 . 16 1 1 A 61 61 ASN H H 61 5.430 9.028 -3.598 1
1 659 . 16 1 1 A 61 61 ASN HA H 61 4.760 4.466 0.294 1
1 664 . 16 1 1 A 61 61 ASN C C 61 173.200 175.275 -2.075 1
1 665 . 16 1 1 A 61 61 ASN CA C 61 51.800 53.883 -2.083 1
1 666 . 16 1 1 A 61 61 ASN CB C 61 37.600 36.180 1.420 1
1 668 . 16 1 1 A 61 61 ASN N N 61 111.100 120.095 -8.995 1
1 670 . 16 1 1 A 62 62 VAL H H 62 6.870 7.909 -1.039 1
1 671 . 16 1 1 A 62 62 VAL HA H 62 3.730 4.316 -0.586 1
1 679 . 16 1 1 A 62 62 VAL C C 62 172.400 174.844 -2.444 1
1 680 . 16 1 1 A 62 62 VAL CA C 62 62.500 62.560 -0.060 1
1 681 . 16 1 1 A 62 62 VAL CB C 62 31.300 32.672 -1.372 1
1 684 . 16 1 1 A 62 62 VAL N N 62 120.400 121.102 -0.702 1
1 685 . 16 1 1 A 63 63 GLU H H 63 7.360 8.584 -1.224 1
1 686 . 16 1 1 A 63 63 GLU HA H 63 4.590 4.979 -0.389 1
1 691 . 16 1 1 A 63 63 GLU C C 63 174.500 175.100 -0.600 1
1 692 . 16 1 1 A 63 63 GLU CA C 63 54.000 54.515 -0.515 1
1 693 . 16 1 1 A 63 63 GLU CB C 63 32.700 33.142 -0.442 1
1 695 . 16 1 1 A 63 63 GLU N N 63 126.500 127.270 -0.770 1
1 696 . 16 1 1 A 64 64 TYR H H 64 8.300 8.480 -0.180 1
1 697 . 16 1 1 A 64 64 TYR HA H 64 5.400 5.183 0.217 1
1 704 . 16 1 1 A 64 64 TYR C C 64 173.400 172.044 1.356 1
1 705 . 16 1 1 A 64 64 TYR CA C 64 54.800 55.496 -0.696 1
1 706 . 16 1 1 A 64 64 TYR CB C 64 41.800 41.121 0.679 1
1 711 . 16 1 1 A 64 64 TYR N N 64 118.800 118.934 -0.134 1
1 712 . 16 1 1 A 65 65 GLU H H 65 8.470 8.200 0.270 1
1 713 . 16 1 1 A 65 65 GLU HA H 65 4.440 4.752 -0.312 1
1 718 . 16 1 1 A 65 65 GLU C C 65 173.800 174.385 -0.585 1
1 719 . 16 1 1 A 65 65 GLU CA C 65 54.600 55.059 -0.459 1
1 720 . 16 1 1 A 65 65 GLU CB C 65 35.000 33.795 1.205 1
1 722 . 16 1 1 A 65 65 GLU N N 65 121.300 120.094 1.206 1
1 723 . 16 1 1 A 66 66 VAL H H 66 8.780 8.827 -0.047 1
1 724 . 16 1 1 A 66 66 VAL HA H 66 4.600 4.668 -0.068 1
1 732 . 16 1 1 A 66 66 VAL C C 66 175.900 175.627 0.273 1
1 733 . 16 1 1 A 66 66 VAL CA C 66 60.800 60.854 -0.054 1
1 734 . 16 1 1 A 66 66 VAL CB C 66 33.800 34.333 -0.533 1
1 737 . 16 1 1 A 66 66 VAL N N 66 126.000 125.497 0.503 1
1 738 . 16 1 1 A 67 67 ALA H H 67 8.400 8.514 -0.114 1
1 739 . 16 1 1 A 67 67 ALA HA H 67 4.390 4.658 -0.268 1
1 743 . 16 1 1 A 67 67 ALA CA C 67 51.100 50.891 0.209 1
1 744 . 16 1 1 A 67 67 ALA CB C 67 16.800 18.562 -1.762 1
1 745 . 16 1 1 A 67 67 ALA N N 67 132.400 130.681 1.719 1
1 746 . 16 1 1 A 68 68 PRO HA H 68 4.260 4.499 -0.239 1
1 753 . 16 1 1 A 68 68 PRO C C 68 176.400 176.139 0.261 1
1 754 . 16 1 1 A 68 68 PRO CA C 68 63.800 63.276 0.524 1
1 755 . 16 1 1 A 68 68 PRO CB C 68 31.800 32.169 -0.369 1
1 758 . 16 1 1 A 69 69 VAL H H 69 8.240 8.452 -0.212 1
1 759 . 16 1 1 A 69 69 VAL HA H 69 4.360 4.640 -0.280 1
1 767 . 16 1 1 A 69 69 VAL C C 69 175.500 174.988 0.512 1
1 768 . 16 1 1 A 69 69 VAL CA C 69 60.500 60.595 -0.095 1
1 769 . 16 1 1 A 69 69 VAL CB C 69 34.200 35.522 -1.322 1
1 772 . 16 1 1 A 69 69 VAL N N 69 121.600 123.358 -1.758 1
1 773 . 16 1 1 A 70 70 ALA H H 70 8.630 8.802 -0.172 1
1 774 . 16 1 1 A 70 70 ALA HA H 70 4.370 4.402 -0.032 1
1 778 . 16 1 1 A 70 70 ALA C C 70 178.100 177.644 0.456 1
1 779 . 16 1 1 A 70 70 ALA CA C 70 51.700 52.282 -0.582 1
1 780 . 16 1 1 A 70 70 ALA CB C 70 19.700 19.166 0.534 1
1 781 . 16 1 1 A 70 70 ALA N N 70 128.800 129.563 -0.763 1
1 782 . 16 1 1 A 71 71 ASP H H 71 8.640 8.941 -0.301 1
1 783 . 16 1 1 A 71 71 ASP HA H 71 4.330 4.289 0.041 1
1 786 . 16 1 1 A 71 71 ASP C C 71 177.000 177.112 -0.112 1
1 787 . 16 1 1 A 71 71 ASP CA C 71 57.300 57.425 -0.125 1
1 788 . 16 1 1 A 71 71 ASP CB C 71 40.300 40.605 -0.305 1
1 789 . 16 1 1 A 71 71 ASP N N 71 118.900 122.670 -3.770 1
1 790 . 16 1 1 A 72 72 ASN H H 72 8.100 7.721 0.379 1
1 791 . 16 1 1 A 72 72 ASN HA H 72 4.810 4.772 0.038 1
1 796 . 16 1 1 A 72 72 ASN C C 72 175.300 175.547 -0.247 1
1 797 . 16 1 1 A 72 72 ASN CA C 72 51.900 52.451 -0.551 1
1 798 . 16 1 1 A 72 72 ASN CB C 72 37.400 38.438 -1.038 1
1 800 . 16 1 1 A 72 72 ASN N N 72 114.800 115.302 -0.502 1
1 802 . 16 1 1 A 73 73 ALA H H 73 7.580 7.316 0.264 1
1 803 . 16 1 1 A 73 73 ALA HA H 73 4.230 4.228 0.002 1
1 807 . 16 1 1 A 73 73 ALA C C 73 176.300 177.348 -1.048 1
1 808 . 16 1 1 A 73 73 ALA CA C 73 53.200 52.796 0.404 1
1 809 . 16 1 1 A 73 73 ALA CB C 73 21.000 19.041 1.959 1
1 810 . 16 1 1 A 73 73 ALA N N 73 123.400 122.763 0.637 1
1 811 . 16 1 1 A 74 74 THR H H 74 8.220 8.871 -0.651 1
1 812 . 16 1 1 A 74 74 THR HA H 74 4.560 4.825 -0.265 1
1 817 . 16 1 1 A 74 74 THR C C 74 174.100 173.940 0.160 1
1 818 . 16 1 1 A 74 74 THR CA C 74 60.200 62.750 -2.550 1
1 819 . 16 1 1 A 74 74 THR CB C 74 69.900 69.992 -0.092 1
1 821 . 16 1 1 A 74 74 THR N N 74 104.600 115.541 -10.941 1
1 822 . 16 1 1 A 75 75 GLU H H 75 7.310 7.699 -0.389 1
1 823 . 16 1 1 A 75 75 GLU HA H 75 5.190 4.924 0.266 1
1 828 . 16 1 1 A 75 75 GLU C C 75 173.600 174.167 -0.567 1
1 829 . 16 1 1 A 75 75 GLU CA C 75 54.100 55.010 -0.910 1
1 830 . 16 1 1 A 75 75 GLU CB C 75 34.100 34.645 -0.545 1
1 832 . 16 1 1 A 75 75 GLU N N 75 119.100 120.513 -1.413 1
1 833 . 16 1 1 A 76 76 LEU H H 76 8.400 8.246 0.154 1
1 834 . 16 1 1 A 76 76 LEU HA H 76 4.650 5.172 -0.522 1
1 844 . 16 1 1 A 76 76 LEU C C 76 174.100 173.952 0.148 1
1 845 . 16 1 1 A 76 76 LEU CA C 76 54.200 53.461 0.739 1
1 846 . 16 1 1 A 76 76 LEU CB C 76 47.400 45.988 1.412 1
1 850 . 16 1 1 A 76 76 LEU N N 76 122.600 124.064 -1.464 1
1 851 . 16 1 1 A 77 77 HIS H H 77 9.340 8.930 0.410 1
1 852 . 16 1 1 A 77 77 HIS HA H 77 5.440 5.218 0.222 1
1 855 . 16 1 1 A 77 77 HIS C C 77 172.700 174.774 -2.074 1
1 856 . 16 1 1 A 77 77 HIS CA C 77 54.400 54.638 -0.238 1
1 857 . 16 1 1 A 77 77 HIS CB C 77 31.700 31.809 -0.109 1
1 858 . 16 1 1 A 77 77 HIS N N 77 123.500 124.668 -1.168 1
1 859 . 16 1 1 A 78 78 ALA H H 78 9.190 8.648 0.542 1
1 860 . 16 1 1 A 78 78 ALA HA H 78 5.620 5.134 0.486 1
1 864 . 16 1 1 A 78 78 ALA C C 78 175.600 175.419 0.181 1
1 865 . 16 1 1 A 78 78 ALA CA C 78 50.300 51.297 -0.997 1
1 866 . 16 1 1 A 78 78 ALA CB C 78 24.100 24.315 -0.215 1
1 867 . 16 1 1 A 78 78 ALA N N 78 124.800 123.812 0.988 1
1 868 . 16 1 1 A 79 79 ARG H H 79 8.680 8.314 0.366 1
1 869 . 16 1 1 A 79 79 ARG HA H 79 5.230 5.402 -0.172 1
1 874 . 16 1 1 A 79 79 ARG C C 79 173.900 175.103 -1.203 1
1 875 . 16 1 1 A 79 79 ARG CA C 79 55.300 54.618 0.682 1
1 876 . 16 1 1 A 79 79 ARG CB C 79 34.400 34.455 -0.055 1
1 879 . 16 1 1 A 79 79 ARG N N 79 119.100 118.381 0.719 1
1 880 . 16 1 1 A 80 80 PHE H H 80 8.970 9.292 -0.322 1
1 881 . 16 1 1 A 80 80 PHE HA H 80 4.720 4.972 -0.252 1
1 889 . 16 1 1 A 80 80 PHE C C 80 172.700 174.070 -1.370 1
1 890 . 16 1 1 A 80 80 PHE CA C 80 56.300 56.214 0.086 1
1 891 . 16 1 1 A 80 80 PHE CB C 80 42.600 43.641 -1.041 1
1 897 . 16 1 1 A 80 80 PHE N N 80 119.200 120.712 -1.512 1
1 898 . 16 1 1 A 81 81 LYS H H 81 9.350 8.160 1.190 1
1 899 . 16 1 1 A 81 81 LYS HA H 81 4.800 5.186 -0.386 1
1 908 . 16 1 1 A 81 81 LYS C C 81 174.500 174.541 -0.041 1
1 909 . 16 1 1 A 81 81 LYS CA C 81 55.600 54.369 1.231 1
1 910 . 16 1 1 A 81 81 LYS CB C 81 35.200 34.863 0.337 1
1 914 . 16 1 1 A 81 81 LYS N N 81 124.500 122.624 1.876 1
1 915 . 16 1 1 A 82 82 PHE H H 82 8.840 8.788 0.052 1
1 916 . 16 1 1 A 82 82 PHE HA H 82 4.550 4.373 0.177 1
1 924 . 16 1 1 A 82 82 PHE C C 82 173.200 175.349 -2.149 1
1 925 . 16 1 1 A 82 82 PHE CA C 82 57.800 56.434 1.366 1
1 926 . 16 1 1 A 82 82 PHE CB C 82 40.100 43.461 -3.361 1
1 932 . 16 1 1 A 82 82 PHE N N 82 127.900 123.401 4.499 1
1 933 . 16 1 1 A 83 83 GLU H H 83 7.590 9.089 -1.499 1
1 934 . 16 1 1 A 83 83 GLU HA H 83 4.120 4.418 -0.298 1
1 939 . 16 1 1 A 83 83 GLU C C 83 177.500 176.361 1.139 1
1 940 . 16 1 1 A 83 83 GLU CA C 83 58.900 57.776 1.124 1
1 941 . 16 1 1 A 83 83 GLU CB C 83 29.900 31.277 -1.377 1
1 943 . 16 1 1 A 83 83 GLU N N 83 119.400 120.985 -1.585 1
1 944 . 16 1 1 A 84 84 VAL H H 84 7.470 7.717 -0.247 1
1 945 . 16 1 1 A 84 84 VAL HA H 84 4.770 4.602 0.168 1
1 953 . 16 1 1 A 84 84 VAL C C 84 177.100 176.100 1.000 1
1 954 . 16 1 1 A 84 84 VAL CA C 84 58.500 58.886 -0.386 1
1 955 . 16 1 1 A 84 84 VAL CB C 84 36.000 35.027 0.973 1
1 958 . 16 1 1 A 84 84 VAL N N 84 108.000 114.257 -6.257 1
1 959 . 16 1 1 A 85 85 SER H H 85 8.980 9.024 -0.044 1
1 960 . 16 1 1 A 85 85 SER HA H 85 4.160 4.145 0.015 1
1 963 . 16 1 1 A 85 85 SER C C 85 176.900 176.535 0.365 1
1 964 . 16 1 1 A 85 85 SER CA C 85 61.200 61.050 0.150 1
1 965 . 16 1 1 A 85 85 SER CB C 85 62.600 62.603 -0.003 1
1 966 . 16 1 1 A 85 85 SER N N 85 120.300 118.721 1.579 1
1 967 . 16 1 1 A 86 86 ALA H H 86 8.370 8.295 0.075 1
1 968 . 16 1 1 A 86 86 ALA HA H 86 4.000 3.903 0.097 1
1 972 . 16 1 1 A 86 86 ALA C C 86 180.500 179.852 0.648 1
1 973 . 16 1 1 A 86 86 ALA CA C 86 55.600 55.423 0.177 1
1 974 . 16 1 1 A 86 86 ALA CB C 86 18.500 18.114 0.386 1
1 975 . 16 1 1 A 86 86 ALA N N 86 121.800 122.564 -0.764 1
1 976 . 16 1 1 A 87 87 GLU H H 87 6.920 7.738 -0.818 1
1 977 . 16 1 1 A 87 87 GLU HA H 87 3.640 3.856 -0.216 1
1 982 . 16 1 1 A 87 87 GLU C C 87 176.700 178.783 -2.083 1
1 983 . 16 1 1 A 87 87 GLU CA C 87 58.000 59.294 -1.294 1
1 984 . 16 1 1 A 87 87 GLU CB C 87 29.300 29.084 0.216 1
1 986 . 16 1 1 A 87 87 GLU N N 87 114.800 117.801 -3.001 1
1 987 . 16 1 1 A 88 88 LYS H H 88 6.520 7.640 -1.120 1
1 988 . 16 1 1 A 88 88 LYS HA H 88 3.140 3.850 -0.710 1
1 997 . 16 1 1 A 88 88 LYS C C 88 178.100 178.945 -0.845 1
1 998 . 16 1 1 A 88 88 LYS CA C 88 59.700 59.141 0.559 1
1 999 . 16 1 1 A 88 88 LYS CB C 88 32.300 32.098 0.202 1
1 1003 . 16 1 1 A 88 88 LYS N N 88 119.900 121.333 -1.433 1
1 1004 . 16 1 1 A 89 89 LEU H H 89 7.920 7.755 0.165 1
1 1005 . 16 1 1 A 89 89 LEU HA H 89 4.080 4.017 0.063 1
1 1015 . 16 1 1 A 89 89 LEU C C 89 179.900 179.173 0.727 1
1 1016 . 16 1 1 A 89 89 LEU CA C 89 58.000 57.960 0.040 1
1 1017 . 16 1 1 A 89 89 LEU CB C 89 41.500 41.755 -0.255 1
1 1021 . 16 1 1 A 89 89 LEU N N 89 118.200 118.830 -0.630 1
1 1022 . 16 1 1 A 90 90 ILE H H 90 7.570 7.780 -0.210 1
1 1023 . 16 1 1 A 90 90 ILE HA H 90 3.710 3.566 0.144 1
1 1033 . 16 1 1 A 90 90 ILE C C 90 178.000 178.165 -0.165 1
1 1034 . 16 1 1 A 90 90 ILE CA C 90 64.700 65.027 -0.327 1
1 1035 . 16 1 1 A 90 90 ILE CB C 90 37.600 37.690 -0.090 1
1 1039 . 16 1 1 A 90 90 ILE N N 90 120.400 119.629 0.771 1
1 1040 . 16 1 1 A 91 91 PHE H H 91 8.180 8.818 -0.638 1
1 1041 . 16 1 1 A 91 91 PHE HA H 91 3.920 3.910 0.010 1
1 1049 . 16 1 1 A 91 91 PHE C C 91 177.200 177.324 -0.124 1
1 1050 . 16 1 1 A 91 91 PHE CA C 91 61.600 61.256 0.344 1
1 1051 . 16 1 1 A 91 91 PHE CB C 91 39.600 39.246 0.354 1
1 1057 . 16 1 1 A 91 91 PHE N N 91 120.100 120.026 0.074 1
1 1058 . 16 1 1 A 92 92 GLU H H 92 8.470 8.642 -0.172 1
1 1059 . 16 1 1 A 92 92 GLU HA H 92 3.620 4.090 -0.470 1
1 1064 . 16 1 1 A 92 92 GLU C C 92 179.100 178.422 0.678 1
1 1065 . 16 1 1 A 92 92 GLU CA C 92 60.100 59.175 0.925 1
1 1066 . 16 1 1 A 92 92 GLU CB C 92 29.300 29.345 -0.045 1
1 1068 . 16 1 1 A 92 92 GLU N N 92 118.800 119.295 -0.495 1
1 1069 . 16 1 1 A 93 93 LEU H H 93 7.980 7.847 0.133 1
1 1070 . 16 1 1 A 93 93 LEU HA H 93 4.000 4.015 -0.015 1
1 1080 . 16 1 1 A 93 93 LEU C C 93 180.600 178.551 2.049 1
1 1081 . 16 1 1 A 93 93 LEU CA C 93 58.300 57.727 0.573 1
1 1082 . 16 1 1 A 93 93 LEU CB C 93 41.700 41.676 0.024 1
1 1086 . 16 1 1 A 93 93 LEU N N 93 120.800 120.991 -0.191 1
1 1087 . 16 1 1 A 94 94 LYS H H 94 8.340 7.569 0.771 1
1 1088 . 16 1 1 A 94 94 LYS HA H 94 3.990 3.798 0.192 1
1 1097 . 16 1 1 A 94 94 LYS C C 94 179.600 179.267 0.333 1
1 1098 . 16 1 1 A 94 94 LYS CA C 94 59.200 59.225 -0.025 1
1 1099 . 16 1 1 A 94 94 LYS CB C 94 33.100 31.990 1.110 1
1 1103 . 16 1 1 A 94 94 LYS N N 94 119.300 118.696 0.604 1
1 1104 . 16 1 1 A 95 95 THR H H 95 8.100 7.671 0.429 1
1 1105 . 16 1 1 A 95 95 THR HA H 95 3.640 3.276 0.364 1
1 1110 . 16 1 1 A 95 95 THR C C 95 176.800 176.741 0.059 1
1 1111 . 16 1 1 A 95 95 THR CA C 95 63.800 65.334 -1.534 1
1 1112 . 16 1 1 A 95 95 THR CB C 95 68.900 68.075 0.825 1
1 1114 . 16 1 1 A 95 95 THR N N 95 109.700 112.662 -2.962 1
1 1115 . 16 1 1 A 96 96 ARG H H 96 7.570 8.086 -0.516 1
1 1116 . 16 1 1 A 96 96 ARG HA H 96 4.060 3.952 0.108 1
1 1124 . 16 1 1 A 96 96 ARG C C 96 178.300 178.451 -0.151 1
1 1125 . 16 1 1 A 96 96 ARG CA C 96 59.500 60.278 -0.778 1
1 1126 . 16 1 1 A 96 96 ARG CB C 96 29.800 29.488 0.312 1
1 1130 . 16 1 1 A 96 96 ARG N N 96 123.200 121.634 1.566 1
1 1132 . 16 1 1 A 97 97 ALA H H 97 7.520 7.849 -0.329 1
1 1133 . 16 1 1 A 97 97 ALA HA H 97 4.130 4.070 0.060 1
1 1137 . 16 1 1 A 97 97 ALA C C 97 179.500 180.046 -0.546 1
1 1138 . 16 1 1 A 97 97 ALA CA C 97 54.100 54.871 -0.771 1
1 1139 . 16 1 1 A 97 97 ALA CB C 97 18.200 18.202 -0.002 1
1 1140 . 16 1 1 A 97 97 ALA N N 97 119.700 121.617 -1.917 1
1 1141 . 16 1 1 A 98 98 LEU H H 98 7.370 8.109 -0.739 1
1 1142 . 16 1 1 A 98 98 LEU HA H 98 4.070 3.923 0.147 1
1 1152 . 16 1 1 A 98 98 LEU C C 98 178.800 178.860 -0.060 1
1 1153 . 16 1 1 A 98 98 LEU CA C 98 56.500 57.856 -1.356 1
1 1154 . 16 1 1 A 98 98 LEU CB C 98 41.700 41.587 0.113 1
1 1158 . 16 1 1 A 98 98 LEU N N 98 118.300 118.738 -0.438 1
1 1159 . 16 1 1 A 99 99 ALA H H 99 7.940 8.342 -0.402 1
1 1160 . 16 1 1 A 99 99 ALA HA H 99 4.250 4.060 0.190 1
1 1164 . 16 1 1 A 99 99 ALA C C 99 179.100 179.778 -0.678 1
1 1165 . 16 1 1 A 99 99 ALA CA C 99 53.600 55.422 -1.822 1
1 1166 . 16 1 1 A 99 99 ALA CB C 99 18.600 18.255 0.345 1
1 1167 . 16 1 1 A 99 99 ALA N N 99 122.100 121.893 0.207 1
1 1168 . 16 1 1 A 100 100 ARG H H 100 7.840 8.232 -0.392 1
1 1169 . 16 1 1 A 100 100 ARG HA H 100 4.210 3.957 0.253 1
1 1176 . 16 1 1 A 100 100 ARG C C 100 177.100 176.188 0.912 1
1 1177 . 16 1 1 A 100 100 ARG CA C 100 57.100 58.798 -1.698 1
1 1178 . 16 1 1 A 100 100 ARG CB C 100 30.300 30.280 0.020 1
1 1181 . 16 1 1 A 100 100 ARG N N 100 117.900 117.846 0.054 1
1 1182 . 16 1 1 A 101 101 LEU H H 101 7.890 8.496 -0.606 1
1 1183 . 16 1 1 A 101 101 LEU HA H 101 4.240 4.055 0.185 1
1 1193 . 16 1 1 A 101 101 LEU C C 101 177.800 175.577 2.223 1
1 1194 . 16 1 1 A 101 101 LEU CA C 101 55.700 55.661 0.039 1
1 1195 . 16 1 1 A 101 101 LEU CB C 101 41.900 40.586 1.314 1
1 1199 . 16 1 1 A 101 101 LEU N N 101 120.800 119.778 1.022 1
1 1200 . 16 1 1 A 102 102 GLU H H 102 8.040 8.141 -0.101 1
1 1201 . 16 1 1 A 102 102 GLU HA H 102 4.240 4.508 -0.268 1
1 1206 . 16 1 1 A 102 102 GLU C C 102 176.500 176.146 0.354 1
1 1207 . 16 1 1 A 102 102 GLU CA C 102 56.600 54.595 2.005 1
1 1208 . 16 1 1 A 102 102 GLU CB C 102 30.000 28.615 1.385 1
1 1210 . 16 1 1 A 102 102 GLU N N 102 120.100 117.949 2.151 1
1 1211 . 16 1 1 A 103 103 HIS H H 103 8.200 8.710 -0.510 1
1 1212 . 16 1 1 A 103 103 HIS HA H 103 4.540 4.375 0.165 1
1 1216 . 16 1 1 A 103 103 HIS CA C 103 56.100 59.258 -3.158 1
1 1217 . 16 1 1 A 103 103 HIS CB C 103 29.900 29.944 -0.044 1
1 1218 . 16 1 1 A 103 103 HIS N N 103 119.200 124.300 -5.100 1
1 1219 . 16 1 1 A 107 107 HIS HA H 107 4.560 4.790 -0.230 1
1 1222 . 16 1 1 A 107 107 HIS C C 107 173.800 173.009 0.791 1
1 1223 . 16 1 1 A 107 107 HIS CA C 107 55.800 55.533 0.267 1
1 1224 . 16 1 1 A 107 107 HIS CB C 107 29.900 33.614 -3.714 1
1 1 . 17 1 1 A 4 4 GLN HA H 4 4.360 4.545 -0.185 1
1 7 . 17 1 1 A 4 4 GLN C C 4 176.100 176.624 -0.524 1
1 8 . 17 1 1 A 4 4 GLN CA C 4 56.000 57.118 -1.118 1
1 9 . 17 1 1 A 4 4 GLN CB C 4 29.300 31.718 -2.418 1
1 11 . 17 1 1 A 5 5 THR H H 5 8.280 8.158 0.122 1
1 12 . 17 1 1 A 5 5 THR HA H 5 4.320 4.340 -0.020 1
1 17 . 17 1 1 A 5 5 THR C C 5 174.300 176.534 -2.234 1
1 18 . 17 1 1 A 5 5 THR CA C 5 62.200 62.931 -0.731 1
1 19 . 17 1 1 A 5 5 THR CB C 5 69.600 69.052 0.548 1
1 21 . 17 1 1 A 5 5 THR N N 5 115.700 113.830 1.870 1
1 22 . 17 1 1 A 6 6 CYS H H 6 8.410 7.875 0.535 1
1 23 . 17 1 1 A 6 6 CYS HA H 6 4.540 4.202 0.338 1
1 26 . 17 1 1 A 6 6 CYS C C 6 174.400 175.154 -0.754 1
1 27 . 17 1 1 A 6 6 CYS CA C 6 58.200 63.652 -5.452 1
1 28 . 17 1 1 A 6 6 CYS CB C 6 27.800 27.237 0.563 1
1 29 . 17 1 1 A 6 6 CYS N N 6 121.900 120.715 1.185 1
1 30 . 17 1 1 A 7 7 VAL H H 7 8.290 7.438 0.852 1
1 31 . 17 1 1 A 7 7 VAL HA H 7 4.090 4.175 -0.085 1
1 39 . 17 1 1 A 7 7 VAL C C 7 176.100 175.483 0.617 1
1 40 . 17 1 1 A 7 7 VAL CA C 7 62.400 61.661 0.739 1
1 41 . 17 1 1 A 7 7 VAL CB C 7 32.500 32.733 -0.233 1
1 44 . 17 1 1 A 7 7 VAL N N 7 122.700 117.848 4.852 1
1 45 . 17 1 1 A 8 8 GLU H H 8 8.510 8.608 -0.098 1
1 46 . 17 1 1 A 8 8 GLU HA H 8 4.240 4.180 0.060 1
1 51 . 17 1 1 A 8 8 GLU C C 8 176.100 176.825 -0.725 1
1 52 . 17 1 1 A 8 8 GLU CA C 8 56.900 56.937 -0.037 1
1 53 . 17 1 1 A 8 8 GLU CB C 8 30.100 30.023 0.077 1
1 55 . 17 1 1 A 8 8 GLU N N 8 124.300 122.793 1.507 1
1 56 . 17 1 1 A 9 9 ASN H H 9 8.390 8.465 -0.075 1
1 57 . 17 1 1 A 9 9 ASN HA H 9 4.650 4.758 -0.108 1
1 62 . 17 1 1 A 9 9 ASN C C 9 174.900 174.751 0.149 1
1 63 . 17 1 1 A 9 9 ASN CA C 9 53.400 54.585 -1.185 1
1 64 . 17 1 1 A 9 9 ASN CB C 9 39.000 38.700 0.300 1
1 66 . 17 1 1 A 9 9 ASN N N 9 119.300 119.792 -0.492 1
1 68 . 17 1 1 A 10 10 GLU H H 10 8.330 8.053 0.277 1
1 69 . 17 1 1 A 10 10 GLU HA H 10 4.250 4.410 -0.160 1
1 74 . 17 1 1 A 10 10 GLU C C 10 176.400 176.330 0.070 1
1 75 . 17 1 1 A 10 10 GLU CA C 10 56.800 57.291 -0.491 1
1 76 . 17 1 1 A 10 10 GLU CB C 10 30.200 30.230 -0.030 1
1 78 . 17 1 1 A 10 10 GLU N N 10 121.400 120.106 1.294 1
1 79 . 17 1 1 A 11 11 VAL H H 11 8.250 8.454 -0.204 1
1 80 . 17 1 1 A 11 11 VAL HA H 11 4.090 4.575 -0.485 1
1 88 . 17 1 1 A 11 11 VAL C C 11 176.100 175.134 0.966 1
1 89 . 17 1 1 A 11 11 VAL CA C 11 62.400 61.564 0.836 1
1 90 . 17 1 1 A 11 11 VAL CB C 11 32.500 32.697 -0.197 1
1 93 . 17 1 1 A 11 11 VAL N N 11 121.900 122.653 -0.753 1
1 94 . 17 1 1 A 12 12 CYS H H 12 8.450 8.778 -0.328 1
1 95 . 17 1 1 A 12 12 CYS HA H 12 4.500 5.041 -0.541 1
1 98 . 17 1 1 A 12 12 CYS C C 12 174.400 173.148 1.252 1
1 99 . 17 1 1 A 12 12 CYS CA C 12 58.300 57.449 0.851 1
1 100 . 17 1 1 A 12 12 CYS CB C 12 28.000 31.401 -3.401 1
1 101 . 17 1 1 A 12 12 CYS N N 12 123.800 123.369 0.431 1
1 102 . 17 1 1 A 13 13 GLU H H 13 8.560 8.549 0.011 1
1 103 . 17 1 1 A 13 13 GLU HA H 13 4.260 4.773 -0.513 1
1 108 . 17 1 1 A 13 13 GLU C C 13 176.100 176.213 -0.113 1
1 109 . 17 1 1 A 13 13 GLU CA C 13 56.700 55.412 1.288 1
1 110 . 17 1 1 A 13 13 GLU CB C 13 30.200 30.953 -0.753 1
1 112 . 17 1 1 A 13 13 GLU N N 13 124.100 122.509 1.591 1
1 113 . 17 1 1 A 14 14 ALA H H 14 8.400 8.653 -0.253 1
1 114 . 17 1 1 A 14 14 ALA HA H 14 4.350 4.402 -0.052 1
1 118 . 17 1 1 A 14 14 ALA C C 14 177.700 176.867 0.833 1
1 119 . 17 1 1 A 14 14 ALA CA C 14 52.600 52.948 -0.348 1
1 120 . 17 1 1 A 14 14 ALA CB C 14 19.100 19.139 -0.039 1
1 121 . 17 1 1 A 14 14 ALA N N 14 125.400 128.089 -2.689 1
1 122 . 17 1 1 A 15 15 CYS H H 15 8.370 8.720 -0.350 1
1 123 . 17 1 1 A 15 15 CYS HA H 15 4.490 4.699 -0.209 1
1 126 . 17 1 1 A 15 15 CYS C C 15 175.100 174.796 0.304 1
1 127 . 17 1 1 A 15 15 CYS CA C 15 58.400 59.859 -1.459 1
1 128 . 17 1 1 A 15 15 CYS CB C 15 28.000 30.106 -2.106 1
1 129 . 17 1 1 A 15 15 CYS N N 15 118.500 120.068 -1.568 1
1 130 . 17 1 1 A 16 16 GLY H H 16 8.480 7.922 0.558 1
1 131 . 17 1 1 A 16 16 GLY HA2 H 16 3.970 4.009 -0.039 1
1 132 . 17 1 1 A 16 16 GLY HA3 H 16 3.970 4.011 -0.041 1
1 133 . 17 1 1 A 16 16 GLY C C 16 174.100 174.760 -0.660 1
1 134 . 17 1 1 A 16 16 GLY CA C 16 45.400 45.317 0.083 1
1 135 . 17 1 1 A 16 16 GLY N N 16 111.300 107.785 3.515 1
1 136 . 17 1 1 A 17 17 CYS H H 17 8.300 8.851 -0.551 1
1 137 . 17 1 1 A 17 17 CYS HA H 17 4.500 4.242 0.258 1
1 140 . 17 1 1 A 17 17 CYS C C 17 174.500 175.329 -0.829 1
1 141 . 17 1 1 A 17 17 CYS CA C 17 58.300 61.527 -3.227 1
1 142 . 17 1 1 A 17 17 CYS CB C 17 28.100 27.500 0.600 1
1 143 . 17 1 1 A 17 17 CYS N N 17 118.900 119.402 -0.502 1
1 144 . 17 1 1 A 18 18 ALA H H 18 8.520 7.449 1.071 1
1 145 . 17 1 1 A 18 18 ALA HA H 18 4.260 4.217 0.043 1
1 149 . 17 1 1 A 18 18 ALA C C 18 178.000 178.439 -0.439 1
1 150 . 17 1 1 A 18 18 ALA CA C 18 52.900 52.613 0.287 1
1 151 . 17 1 1 A 18 18 ALA CB C 18 19.000 19.350 -0.350 1
1 152 . 17 1 1 A 18 18 ALA N N 18 126.800 124.316 2.484 1
1 153 . 17 1 1 A 19 19 GLY H H 19 8.310 8.769 -0.459 1
1 154 . 17 1 1 A 19 19 GLY HA2 H 19 3.890 3.890 0.000 1
1 155 . 17 1 1 A 19 19 GLY HA3 H 19 3.890 3.891 -0.001 1
1 156 . 17 1 1 A 19 19 GLY C C 19 174.000 174.221 -0.221 1
1 157 . 17 1 1 A 19 19 GLY CA C 19 45.000 45.482 -0.482 1
1 158 . 17 1 1 A 19 19 GLY N N 19 108.100 109.792 -1.692 1
1 159 . 17 1 1 A 20 20 GLU H H 20 8.180 7.779 0.401 1
1 160 . 17 1 1 A 20 20 GLU HA H 20 4.270 4.280 -0.010 1
1 165 . 17 1 1 A 20 20 GLU C C 20 176.400 176.042 0.358 1
1 166 . 17 1 1 A 20 20 GLU CA C 20 56.200 57.407 -1.207 1
1 167 . 17 1 1 A 20 20 GLU CB C 20 30.100 30.253 -0.153 1
1 169 . 17 1 1 A 20 20 GLU N N 20 120.500 120.291 0.209 1
1 170 . 17 1 1 A 21 21 ILE H H 21 8.160 8.471 -0.311 1
1 171 . 17 1 1 A 21 21 ILE HA H 21 4.020 4.964 -0.944 1
1 181 . 17 1 1 A 21 21 ILE C C 21 176.400 176.093 0.307 1
1 182 . 17 1 1 A 21 21 ILE CA C 21 61.200 59.629 1.571 1
1 183 . 17 1 1 A 21 21 ILE CB C 21 38.200 39.976 -1.776 1
1 187 . 17 1 1 A 21 21 ILE N N 21 122.000 124.968 -2.968 1
1 188 . 17 1 1 A 22 22 GLY H H 22 8.260 8.182 0.078 1
1 189 . 17 1 1 A 22 22 GLY HA2 H 22 3.740 4.097 -0.357 1
1 190 . 17 1 1 A 22 22 GLY HA3 H 22 3.880 4.193 -0.313 1
1 191 . 17 1 1 A 22 22 GLY C C 22 173.200 172.674 0.526 1
1 192 . 17 1 1 A 22 22 GLY CA C 22 45.100 45.547 -0.447 1
1 193 . 17 1 1 A 22 22 GLY N N 22 112.500 113.255 -0.755 1
1 194 . 17 1 1 A 23 23 PHE H H 23 7.890 8.311 -0.421 1
1 195 . 17 1 1 A 23 23 PHE HA H 23 4.550 5.561 -1.011 1
1 202 . 17 1 1 A 23 23 PHE CA C 23 58.100 55.491 2.609 1
1 203 . 17 1 1 A 23 23 PHE CB C 23 41.200 42.057 -0.857 1
1 206 . 17 1 1 A 23 23 PHE N N 23 119.700 114.494 5.206 1
1 207 . 17 1 1 A 24 24 ILE HA H 24 3.970 4.226 -0.256 1
1 217 . 17 1 1 A 24 24 ILE CA C 24 62.400 62.132 0.268 1
1 218 . 17 1 1 A 24 24 ILE CB C 24 37.700 41.157 -3.457 1
1 222 . 17 1 1 A 25 25 ILE H H 25 8.950 8.041 0.909 1
1 223 . 17 1 1 A 25 25 ILE HA H 25 3.740 4.196 -0.456 1
1 233 . 17 1 1 A 25 25 ILE C C 25 175.200 174.651 0.549 1
1 234 . 17 1 1 A 25 25 ILE CA C 25 62.700 63.325 -0.625 1
1 235 . 17 1 1 A 25 25 ILE CB C 25 38.200 36.933 1.267 1
1 239 . 17 1 1 A 25 25 ILE N N 25 124.800 121.083 3.717 1
1 240 . 17 1 1 A 26 26 ARG H H 26 8.040 8.705 -0.665 1
1 241 . 17 1 1 A 26 26 ARG HA H 26 4.140 4.529 -0.389 1
1 248 . 17 1 1 A 26 26 ARG C C 26 175.900 176.359 -0.459 1
1 249 . 17 1 1 A 26 26 ARG CA C 26 55.300 55.308 -0.008 1
1 250 . 17 1 1 A 26 26 ARG CB C 26 31.100 31.663 -0.563 1
1 253 . 17 1 1 A 26 26 ARG N N 26 128.100 126.684 1.416 1
1 254 . 17 1 1 A 27 27 GLU H H 27 8.560 8.730 -0.170 1
1 255 . 17 1 1 A 27 27 GLU HA H 27 4.030 4.620 -0.590 1
1 260 . 17 1 1 A 27 27 GLU C C 27 176.300 176.671 -0.371 1
1 261 . 17 1 1 A 27 27 GLU CA C 27 57.000 56.667 0.333 1
1 262 . 17 1 1 A 27 27 GLU CB C 27 30.000 30.849 -0.849 1
1 264 . 17 1 1 A 27 27 GLU N N 27 123.500 122.814 0.686 1
1 265 . 17 1 1 A 28 28 GLY H H 28 8.420 8.301 0.119 1
1 266 . 17 1 1 A 28 28 GLY HA2 H 28 4.050 4.218 -0.168 1
1 267 . 17 1 1 A 28 28 GLY HA3 H 28 4.220 4.219 0.001 1
1 268 . 17 1 1 A 28 28 GLY C C 28 174.000 173.791 0.209 1
1 269 . 17 1 1 A 28 28 GLY CA C 28 45.400 45.675 -0.275 1
1 270 . 17 1 1 A 28 28 GLY N N 28 108.300 110.236 -1.936 1
1 271 . 17 1 1 A 29 29 ASP H H 29 8.690 8.941 -0.251 1
1 272 . 17 1 1 A 29 29 ASP HA H 29 4.430 4.466 -0.036 1
1 275 . 17 1 1 A 29 29 ASP C C 29 175.200 176.706 -1.506 1
1 276 . 17 1 1 A 29 29 ASP CA C 29 56.300 55.300 1.000 1
1 277 . 17 1 1 A 29 29 ASP CB C 29 40.300 40.342 -0.042 1
1 278 . 17 1 1 A 29 29 ASP N N 29 119.800 119.792 0.008 1
1 279 . 17 1 1 A 30 30 ASP H H 30 8.630 8.277 0.353 1
1 280 . 17 1 1 A 30 30 ASP HA H 30 4.260 4.842 -0.582 1
1 283 . 17 1 1 A 30 30 ASP C C 30 174.300 175.351 -1.051 1
1 284 . 17 1 1 A 30 30 ASP CA C 30 52.600 54.030 -1.430 1
1 285 . 17 1 1 A 30 30 ASP CB C 30 39.200 40.003 -0.803 1
1 286 . 17 1 1 A 30 30 ASP N N 30 114.900 116.148 -1.248 1
1 287 . 17 1 1 A 31 31 VAL H H 31 7.550 7.438 0.112 1
1 288 . 17 1 1 A 31 31 VAL HA H 31 5.300 4.783 0.517 1
1 296 . 17 1 1 A 31 31 VAL C C 31 175.800 174.497 1.303 1
1 297 . 17 1 1 A 31 31 VAL CA C 31 60.700 60.484 0.216 1
1 298 . 17 1 1 A 31 31 VAL CB C 31 35.000 35.019 -0.019 1
1 301 . 17 1 1 A 31 31 VAL N N 31 120.500 119.523 0.977 1
1 302 . 17 1 1 A 32 32 ALA H H 32 9.580 8.823 0.757 1
1 303 . 17 1 1 A 32 32 ALA HA H 32 5.030 5.252 -0.222 1
1 307 . 17 1 1 A 32 32 ALA C C 32 175.800 175.881 -0.081 1
1 308 . 17 1 1 A 32 32 ALA CA C 32 50.000 50.576 -0.576 1
1 309 . 17 1 1 A 32 32 ALA CB C 32 22.800 23.780 -0.980 1
1 310 . 17 1 1 A 32 32 ALA N N 32 130.500 128.459 2.041 1
1 311 . 17 1 1 A 33 33 GLU H H 33 9.270 8.658 0.612 1
1 312 . 17 1 1 A 33 33 GLU HA H 33 5.140 4.939 0.201 1
1 317 . 17 1 1 A 33 33 GLU C C 33 175.900 175.888 0.012 1
1 318 . 17 1 1 A 33 33 GLU CA C 33 55.300 55.715 -0.415 1
1 319 . 17 1 1 A 33 33 GLU CB C 33 31.500 31.145 0.355 1
1 321 . 17 1 1 A 33 33 GLU N N 33 124.500 119.515 4.985 1
1 322 . 17 1 1 A 34 34 VAL H H 34 9.140 9.243 -0.103 1
1 323 . 17 1 1 A 34 34 VAL HA H 34 4.580 4.978 -0.398 1
1 331 . 17 1 1 A 34 34 VAL C C 34 174.300 174.301 -0.001 1
1 332 . 17 1 1 A 34 34 VAL CA C 34 60.800 61.127 -0.327 1
1 333 . 17 1 1 A 34 34 VAL CB C 34 35.700 34.494 1.206 1
1 336 . 17 1 1 A 34 34 VAL N N 34 124.700 124.110 0.590 1
1 337 . 17 1 1 A 35 35 SER H H 35 8.450 9.057 -0.607 1
1 338 . 17 1 1 A 35 35 SER HA H 35 5.060 5.274 -0.214 1
1 341 . 17 1 1 A 35 35 SER C C 35 172.100 172.533 -0.433 1
1 342 . 17 1 1 A 35 35 SER CA C 35 56.900 56.340 0.560 1
1 343 . 17 1 1 A 35 35 SER CB C 35 64.800 64.419 0.381 1
1 344 . 17 1 1 A 35 35 SER N N 35 122.100 123.050 -0.950 1
1 345 . 17 1 1 A 36 36 LEU H H 36 8.540 8.392 0.148 1
1 346 . 17 1 1 A 36 36 LEU HA H 36 4.570 5.158 -0.588 1
1 356 . 17 1 1 A 36 36 LEU C C 36 174.200 173.845 0.355 1
1 357 . 17 1 1 A 36 36 LEU CA C 36 52.600 52.470 0.130 1
1 358 . 17 1 1 A 36 36 LEU CB C 36 45.600 46.088 -0.488 1
1 362 . 17 1 1 A 36 36 LEU N N 36 123.600 128.796 -5.196 1
1 363 . 17 1 1 A 37 37 PHE H H 37 8.400 8.907 -0.507 1
1 364 . 17 1 1 A 37 37 PHE HA H 37 5.300 5.414 -0.114 1
1 369 . 17 1 1 A 37 37 PHE C C 37 175.600 176.274 -0.674 1
1 370 . 17 1 1 A 37 37 PHE CA C 37 56.300 55.672 0.628 1
1 371 . 17 1 1 A 37 37 PHE CB C 37 42.000 41.923 0.077 1
1 374 . 17 1 1 A 37 37 PHE N N 37 118.300 124.777 -6.477 1
1 375 . 17 1 1 A 38 38 GLY H H 38 8.340 8.482 -0.142 1
1 376 . 17 1 1 A 38 38 GLY HA2 H 38 3.750 4.426 -0.676 1
1 377 . 17 1 1 A 38 38 GLY HA3 H 38 4.210 4.465 -0.255 1
1 378 . 17 1 1 A 38 38 GLY CA C 38 45.600 45.812 -0.212 1
1 379 . 17 1 1 A 38 38 GLY N N 38 109.300 109.802 -0.502 1
1 380 . 17 1 1 A 39 39 SER HA H 39 4.210 4.436 -0.226 1
1 383 . 17 1 1 A 39 39 SER C C 39 173.700 173.926 -0.226 1
1 384 . 17 1 1 A 39 39 SER CA C 39 60.100 60.239 -0.139 1
1 385 . 17 1 1 A 39 39 SER CB C 39 63.900 63.020 0.880 1
1 386 . 17 1 1 A 40 40 ASP H H 40 7.670 7.908 -0.238 1
1 387 . 17 1 1 A 40 40 ASP HA H 40 4.810 4.853 -0.043 1
1 390 . 17 1 1 A 40 40 ASP C C 40 175.500 176.248 -0.748 1
1 391 . 17 1 1 A 40 40 ASP CA C 40 52.900 52.489 0.411 1
1 392 . 17 1 1 A 40 40 ASP CB C 40 41.300 41.409 -0.109 1
1 393 . 17 1 1 A 40 40 ASP N N 40 115.800 118.966 -3.166 1
1 394 . 17 1 1 A 41 41 LYS H H 41 8.260 8.939 -0.679 1
1 395 . 17 1 1 A 41 41 LYS HA H 41 3.780 3.945 -0.165 1
1 404 . 17 1 1 A 41 41 LYS C C 41 177.100 178.053 -0.953 1
1 405 . 17 1 1 A 41 41 LYS CA C 41 60.500 59.459 1.041 1
1 406 . 17 1 1 A 41 41 LYS CB C 41 33.400 31.991 1.409 1
1 410 . 17 1 1 A 41 41 LYS N N 41 120.200 120.935 -0.735 1
1 411 . 17 1 1 A 42 42 ALA H H 42 8.420 8.027 0.393 1
1 412 . 17 1 1 A 42 42 ALA HA H 42 4.180 4.181 -0.001 1
1 416 . 17 1 1 A 42 42 ALA C C 42 181.900 179.833 2.067 1
1 417 . 17 1 1 A 42 42 ALA CA C 42 55.400 55.073 0.327 1
1 418 . 17 1 1 A 42 42 ALA CB C 42 17.700 18.509 -0.809 1
1 419 . 17 1 1 A 42 42 ALA N N 42 120.700 121.807 -1.107 1
1 420 . 17 1 1 A 43 43 HIS H H 43 8.490 8.329 0.161 1
1 421 . 17 1 1 A 43 43 HIS HA H 43 4.330 4.344 -0.014 1
1 424 . 17 1 1 A 43 43 HIS C C 43 178.800 176.898 1.902 1
1 425 . 17 1 1 A 43 43 HIS CA C 43 59.600 59.889 -0.289 1
1 426 . 17 1 1 A 43 43 HIS CB C 43 30.300 30.096 0.204 1
1 427 . 17 1 1 A 43 43 HIS N N 43 118.000 118.171 -0.171 1
1 428 . 17 1 1 A 44 44 LEU H H 44 8.340 8.261 0.079 1
1 429 . 17 1 1 A 44 44 LEU HA H 44 3.750 3.616 0.134 1
1 439 . 17 1 1 A 44 44 LEU C C 44 178.500 178.944 -0.444 1
1 440 . 17 1 1 A 44 44 LEU CA C 44 58.200 57.806 0.394 1
1 441 . 17 1 1 A 44 44 LEU CB C 44 42.100 41.267 0.833 1
1 445 . 17 1 1 A 44 44 LEU N N 44 121.500 119.221 2.279 1
1 446 . 17 1 1 A 45 45 GLU H H 45 8.880 8.712 0.168 1
1 447 . 17 1 1 A 45 45 GLU HA H 45 3.750 4.012 -0.262 1
1 452 . 17 1 1 A 45 45 GLU C C 45 180.200 180.124 0.076 1
1 453 . 17 1 1 A 45 45 GLU CA C 45 60.000 59.378 0.622 1
1 454 . 17 1 1 A 45 45 GLU CB C 45 29.000 29.101 -0.101 1
1 456 . 17 1 1 A 45 45 GLU N N 45 118.300 118.198 0.102 1
1 457 . 17 1 1 A 46 46 GLY H H 46 7.970 8.043 -0.073 1
1 458 . 17 1 1 A 46 46 GLY HA2 H 46 3.920 3.619 0.301 1
1 459 . 17 1 1 A 46 46 GLY HA3 H 46 3.920 3.650 0.270 1
1 460 . 17 1 1 A 46 46 GLY C C 46 176.500 175.697 0.803 1
1 461 . 17 1 1 A 46 46 GLY CA C 46 46.900 47.208 -0.308 1
1 462 . 17 1 1 A 46 46 GLY N N 46 108.100 109.755 -1.655 1
1 463 . 17 1 1 A 47 47 LYS H H 47 7.690 7.510 0.180 1
1 464 . 17 1 1 A 47 47 LYS HA H 47 4.320 3.948 0.372 1
1 473 . 17 1 1 A 47 47 LYS C C 47 179.400 179.222 0.178 1
1 474 . 17 1 1 A 47 47 LYS CA C 47 58.400 59.186 -0.786 1
1 475 . 17 1 1 A 47 47 LYS CB C 47 32.100 31.943 0.157 1
1 479 . 17 1 1 A 47 47 LYS N N 47 122.400 122.114 0.286 1
1 480 . 17 1 1 A 48 48 LEU H H 48 8.550 8.287 0.263 1
1 481 . 17 1 1 A 48 48 LEU HA H 48 3.980 3.921 0.059 1
1 491 . 17 1 1 A 48 48 LEU C C 48 178.300 178.384 -0.084 1
1 492 . 17 1 1 A 48 48 LEU CA C 48 57.900 57.758 0.142 1
1 493 . 17 1 1 A 48 48 LEU CB C 48 40.800 41.049 -0.249 1
1 497 . 17 1 1 A 48 48 LEU N N 48 120.600 121.584 -0.984 1
1 498 . 17 1 1 A 49 49 ALA H H 49 7.810 8.127 -0.317 1
1 499 . 17 1 1 A 49 49 ALA HA H 49 4.000 4.009 -0.009 1
1 503 . 17 1 1 A 49 49 ALA C C 49 180.400 179.958 0.442 1
1 504 . 17 1 1 A 49 49 ALA CA C 49 55.600 55.378 0.222 1
1 505 . 17 1 1 A 49 49 ALA CB C 49 17.900 18.264 -0.364 1
1 506 . 17 1 1 A 49 49 ALA N N 49 120.000 119.887 0.113 1
1 507 . 17 1 1 A 50 50 GLU H H 50 7.520 7.932 -0.412 1
1 508 . 17 1 1 A 50 50 GLU HA H 50 4.130 4.089 0.041 1
1 513 . 17 1 1 A 50 50 GLU C C 50 179.600 179.276 0.324 1
1 514 . 17 1 1 A 50 50 GLU CA C 50 59.200 58.750 0.450 1
1 515 . 17 1 1 A 50 50 GLU CB C 50 29.800 29.467 0.333 1
1 517 . 17 1 1 A 50 50 GLU N N 50 117.300 119.272 -1.972 1
1 518 . 17 1 1 A 51 51 TYR H H 51 7.860 8.424 -0.564 1
1 519 . 17 1 1 A 51 51 TYR HA H 51 3.900 4.360 -0.460 1
1 526 . 17 1 1 A 51 51 TYR C C 51 177.900 178.373 -0.473 1
1 527 . 17 1 1 A 51 51 TYR CA C 51 62.400 60.961 1.439 1
1 528 . 17 1 1 A 51 51 TYR CB C 51 38.200 38.408 -0.208 1
1 533 . 17 1 1 A 51 51 TYR N N 51 120.300 119.484 0.816 1
1 534 . 17 1 1 A 52 52 ILE H H 52 8.590 8.331 0.259 1
1 535 . 17 1 1 A 52 52 ILE HA H 52 3.420 3.584 -0.164 1
1 545 . 17 1 1 A 52 52 ILE C C 52 177.400 178.073 -0.673 1
1 546 . 17 1 1 A 52 52 ILE CA C 52 66.200 65.152 1.048 1
1 547 . 17 1 1 A 52 52 ILE CB C 52 38.200 37.986 0.214 1
1 551 . 17 1 1 A 52 52 ILE N N 52 120.100 120.582 -0.482 1
1 552 . 17 1 1 A 53 53 SER H H 53 7.860 8.026 -0.166 1
1 553 . 17 1 1 A 53 53 SER HA H 53 4.080 4.067 0.013 1
1 556 . 17 1 1 A 53 53 SER C C 53 177.700 176.128 1.572 1
1 557 . 17 1 1 A 53 53 SER CA C 53 61.800 62.428 -0.628 1
1 558 . 17 1 1 A 53 53 SER CB C 53 62.600 62.951 -0.351 1
1 559 . 17 1 1 A 53 53 SER N N 53 113.100 116.142 -3.042 1
1 560 . 17 1 1 A 54 54 LEU H H 54 7.610 8.577 -0.967 1
1 561 . 17 1 1 A 54 54 LEU HA H 54 4.090 4.122 -0.032 1
1 571 . 17 1 1 A 54 54 LEU C C 54 178.600 178.601 -0.001 1
1 572 . 17 1 1 A 54 54 LEU CA C 54 58.000 57.937 0.063 1
1 573 . 17 1 1 A 54 54 LEU CB C 54 42.200 41.511 0.689 1
1 577 . 17 1 1 A 54 54 LEU N N 54 121.200 122.927 -1.727 1
1 578 . 17 1 1 A 55 55 ALA H H 55 8.640 8.382 0.258 1
1 579 . 17 1 1 A 55 55 ALA HA H 55 3.860 3.994 -0.134 1
1 583 . 17 1 1 A 55 55 ALA C C 55 179.100 179.364 -0.264 1
1 584 . 17 1 1 A 55 55 ALA CA C 55 56.200 55.600 0.600 1
1 585 . 17 1 1 A 55 55 ALA CB C 55 19.000 17.805 1.195 1
1 586 . 17 1 1 A 55 55 ALA N N 55 121.900 121.085 0.815 1
1 587 . 17 1 1 A 56 56 LYS H H 56 8.120 7.965 0.155 1
1 588 . 17 1 1 A 56 56 LYS HA H 56 4.220 4.068 0.152 1
1 597 . 17 1 1 A 56 56 LYS C C 56 178.800 178.944 -0.144 1
1 598 . 17 1 1 A 56 56 LYS CA C 56 58.300 59.562 -1.262 1
1 599 . 17 1 1 A 56 56 LYS CB C 56 32.900 32.197 0.703 1
1 603 . 17 1 1 A 56 56 LYS N N 56 115.600 117.427 -1.827 1
1 604 . 17 1 1 A 57 57 GLN H H 57 7.590 7.816 -0.226 1
1 605 . 17 1 1 A 57 57 GLN HA H 57 4.010 4.131 -0.121 1
1 612 . 17 1 1 A 57 57 GLN C C 57 178.300 178.562 -0.262 1
1 613 . 17 1 1 A 57 57 GLN CA C 57 58.400 58.825 -0.425 1
1 614 . 17 1 1 A 57 57 GLN CB C 57 28.600 28.227 0.373 1
1 617 . 17 1 1 A 57 57 GLN N N 57 117.900 119.676 -1.776 1
1 619 . 17 1 1 A 58 58 VAL H H 58 7.650 8.020 -0.370 1
1 620 . 17 1 1 A 58 58 VAL HA H 58 3.750 3.699 0.051 1
1 628 . 17 1 1 A 58 58 VAL C C 58 176.400 177.761 -1.361 1
1 629 . 17 1 1 A 58 58 VAL CA C 58 65.500 66.498 -0.998 1
1 630 . 17 1 1 A 58 58 VAL CB C 58 32.000 31.901 0.099 1
1 633 . 17 1 1 A 58 58 VAL N N 58 120.200 119.310 0.890 1
1 634 . 17 1 1 A 59 59 TYR H H 59 8.700 8.247 0.453 1
1 635 . 17 1 1 A 59 59 TYR HA H 59 5.040 4.522 0.518 1
1 642 . 17 1 1 A 59 59 TYR C C 59 174.100 175.292 -1.192 1
1 643 . 17 1 1 A 59 59 TYR CA C 59 55.500 60.145 -4.645 1
1 644 . 17 1 1 A 59 59 TYR CB C 59 40.500 40.398 0.102 1
1 649 . 17 1 1 A 59 59 TYR N N 59 120.400 121.727 -1.327 1
1 650 . 17 1 1 A 60 60 ALA H H 60 8.900 7.663 1.237 1
1 651 . 17 1 1 A 60 60 ALA HA H 60 4.230 4.301 -0.071 1
1 655 . 17 1 1 A 60 60 ALA CA C 60 55.400 53.539 1.861 1
1 656 . 17 1 1 A 60 60 ALA CB C 60 18.100 18.359 -0.259 1
1 657 . 17 1 1 A 60 60 ALA N N 60 131.000 121.078 9.922 1
1 658 . 17 1 1 A 61 61 ASN H H 61 5.430 8.748 -3.318 1
1 659 . 17 1 1 A 61 61 ASN HA H 61 4.760 4.281 0.479 1
1 664 . 17 1 1 A 61 61 ASN C C 61 173.200 173.874 -0.674 1
1 665 . 17 1 1 A 61 61 ASN CA C 61 51.800 54.465 -2.665 1
1 666 . 17 1 1 A 61 61 ASN CB C 61 37.600 37.221 0.379 1
1 668 . 17 1 1 A 61 61 ASN N N 61 111.100 115.784 -4.684 1
1 670 . 17 1 1 A 62 62 VAL H H 62 6.870 7.958 -1.088 1
1 671 . 17 1 1 A 62 62 VAL HA H 62 3.730 4.380 -0.650 1
1 679 . 17 1 1 A 62 62 VAL C C 62 172.400 174.844 -2.444 1
1 680 . 17 1 1 A 62 62 VAL CA C 62 62.500 61.505 0.995 1
1 681 . 17 1 1 A 62 62 VAL CB C 62 31.300 33.222 -1.922 1
1 684 . 17 1 1 A 62 62 VAL N N 62 120.400 117.751 2.649 1
1 685 . 17 1 1 A 63 63 GLU H H 63 7.360 8.346 -0.986 1
1 686 . 17 1 1 A 63 63 GLU HA H 63 4.590 4.949 -0.359 1
1 691 . 17 1 1 A 63 63 GLU C C 63 174.500 175.223 -0.723 1
1 692 . 17 1 1 A 63 63 GLU CA C 63 54.000 54.648 -0.648 1
1 693 . 17 1 1 A 63 63 GLU CB C 63 32.700 32.530 0.170 1
1 695 . 17 1 1 A 63 63 GLU N N 63 126.500 126.767 -0.267 1
1 696 . 17 1 1 A 64 64 TYR H H 64 8.300 8.350 -0.050 1
1 697 . 17 1 1 A 64 64 TYR HA H 64 5.400 5.279 0.121 1
1 704 . 17 1 1 A 64 64 TYR C C 64 173.400 172.744 0.656 1
1 705 . 17 1 1 A 64 64 TYR CA C 64 54.800 55.299 -0.499 1
1 706 . 17 1 1 A 64 64 TYR CB C 64 41.800 41.362 0.438 1
1 711 . 17 1 1 A 64 64 TYR N N 64 118.800 119.445 -0.645 1
1 712 . 17 1 1 A 65 65 GLU H H 65 8.470 8.571 -0.101 1
1 713 . 17 1 1 A 65 65 GLU HA H 65 4.440 4.605 -0.165 1
1 718 . 17 1 1 A 65 65 GLU C C 65 173.800 174.583 -0.783 1
1 719 . 17 1 1 A 65 65 GLU CA C 65 54.600 54.469 0.131 1
1 720 . 17 1 1 A 65 65 GLU CB C 65 35.000 33.816 1.184 1
1 722 . 17 1 1 A 65 65 GLU N N 65 121.300 119.119 2.181 1
1 723 . 17 1 1 A 66 66 VAL H H 66 8.780 8.732 0.048 1
1 724 . 17 1 1 A 66 66 VAL HA H 66 4.600 4.968 -0.368 1
1 732 . 17 1 1 A 66 66 VAL C C 66 175.900 174.899 1.001 1
1 733 . 17 1 1 A 66 66 VAL CA C 66 60.800 59.704 1.096 1
1 734 . 17 1 1 A 66 66 VAL CB C 66 33.800 34.814 -1.014 1
1 737 . 17 1 1 A 66 66 VAL N N 66 126.000 121.369 4.631 1
1 738 . 17 1 1 A 67 67 ALA H H 67 8.400 8.593 -0.193 1
1 739 . 17 1 1 A 67 67 ALA HA H 67 4.390 4.779 -0.389 1
1 743 . 17 1 1 A 67 67 ALA CA C 67 51.100 50.760 0.340 1
1 744 . 17 1 1 A 67 67 ALA CB C 67 16.800 18.787 -1.987 1
1 745 . 17 1 1 A 67 67 ALA N N 67 132.400 131.094 1.306 1
1 746 . 17 1 1 A 68 68 PRO HA H 68 4.260 4.579 -0.319 1
1 753 . 17 1 1 A 68 68 PRO C C 68 176.400 176.017 0.383 1
1 754 . 17 1 1 A 68 68 PRO CA C 68 63.800 63.182 0.618 1
1 755 . 17 1 1 A 68 68 PRO CB C 68 31.800 32.206 -0.406 1
1 758 . 17 1 1 A 69 69 VAL H H 69 8.240 8.424 -0.184 1
1 759 . 17 1 1 A 69 69 VAL HA H 69 4.360 4.596 -0.236 1
1 767 . 17 1 1 A 69 69 VAL C C 69 175.500 175.093 0.407 1
1 768 . 17 1 1 A 69 69 VAL CA C 69 60.500 60.661 -0.161 1
1 769 . 17 1 1 A 69 69 VAL CB C 69 34.200 35.548 -1.348 1
1 772 . 17 1 1 A 69 69 VAL N N 69 121.600 123.403 -1.803 1
1 773 . 17 1 1 A 70 70 ALA H H 70 8.630 8.732 -0.102 1
1 774 . 17 1 1 A 70 70 ALA HA H 70 4.370 4.468 -0.098 1
1 778 . 17 1 1 A 70 70 ALA C C 70 178.100 177.739 0.361 1
1 779 . 17 1 1 A 70 70 ALA CA C 70 51.700 52.060 -0.360 1
1 780 . 17 1 1 A 70 70 ALA CB C 70 19.700 19.614 0.086 1
1 781 . 17 1 1 A 70 70 ALA N N 70 128.800 129.749 -0.949 1
1 782 . 17 1 1 A 71 71 ASP H H 71 8.640 8.873 -0.233 1
1 783 . 17 1 1 A 71 71 ASP HA H 71 4.330 4.300 0.030 1
1 786 . 17 1 1 A 71 71 ASP C C 71 177.000 177.804 -0.804 1
1 787 . 17 1 1 A 71 71 ASP CA C 71 57.300 57.541 -0.241 1
1 788 . 17 1 1 A 71 71 ASP CB C 71 40.300 40.810 -0.510 1
1 789 . 17 1 1 A 71 71 ASP N N 71 118.900 120.854 -1.954 1
1 790 . 17 1 1 A 72 72 ASN H H 72 8.100 7.632 0.468 1
1 791 . 17 1 1 A 72 72 ASN HA H 72 4.810 4.944 -0.134 1
1 796 . 17 1 1 A 72 72 ASN C C 72 175.300 174.947 0.353 1
1 797 . 17 1 1 A 72 72 ASN CA C 72 51.900 53.113 -1.213 1
1 798 . 17 1 1 A 72 72 ASN CB C 72 37.400 38.938 -1.538 1
1 800 . 17 1 1 A 72 72 ASN N N 72 114.800 114.640 0.160 1
1 802 . 17 1 1 A 73 73 ALA H H 73 7.580 7.146 0.434 1
1 803 . 17 1 1 A 73 73 ALA HA H 73 4.230 4.219 0.011 1
1 807 . 17 1 1 A 73 73 ALA C C 73 176.300 178.717 -2.417 1
1 808 . 17 1 1 A 73 73 ALA CA C 73 53.200 52.926 0.274 1
1 809 . 17 1 1 A 73 73 ALA CB C 73 21.000 19.069 1.931 1
1 810 . 17 1 1 A 73 73 ALA N N 73 123.400 122.995 0.405 1
1 811 . 17 1 1 A 74 74 THR H H 74 8.220 8.917 -0.697 1
1 812 . 17 1 1 A 74 74 THR HA H 74 4.560 4.766 -0.206 1
1 817 . 17 1 1 A 74 74 THR C C 74 174.100 174.278 -0.178 1
1 818 . 17 1 1 A 74 74 THR CA C 74 60.200 61.796 -1.596 1
1 819 . 17 1 1 A 74 74 THR CB C 74 69.900 69.667 0.233 1
1 821 . 17 1 1 A 74 74 THR N N 74 104.600 112.461 -7.861 1
1 822 . 17 1 1 A 75 75 GLU H H 75 7.310 7.622 -0.312 1
1 823 . 17 1 1 A 75 75 GLU HA H 75 5.190 4.856 0.334 1
1 828 . 17 1 1 A 75 75 GLU C C 75 173.600 173.986 -0.386 1
1 829 . 17 1 1 A 75 75 GLU CA C 75 54.100 54.903 -0.803 1
1 830 . 17 1 1 A 75 75 GLU CB C 75 34.100 34.620 -0.520 1
1 832 . 17 1 1 A 75 75 GLU N N 75 119.100 119.410 -0.310 1
1 833 . 17 1 1 A 76 76 LEU H H 76 8.400 8.476 -0.076 1
1 834 . 17 1 1 A 76 76 LEU HA H 76 4.650 5.261 -0.611 1
1 844 . 17 1 1 A 76 76 LEU C C 76 174.100 173.800 0.300 1
1 845 . 17 1 1 A 76 76 LEU CA C 76 54.200 53.090 1.110 1
1 846 . 17 1 1 A 76 76 LEU CB C 76 47.400 45.888 1.512 1
1 850 . 17 1 1 A 76 76 LEU N N 76 122.600 124.108 -1.508 1
1 851 . 17 1 1 A 77 77 HIS H H 77 9.340 8.978 0.362 1
1 852 . 17 1 1 A 77 77 HIS HA H 77 5.440 5.207 0.233 1
1 855 . 17 1 1 A 77 77 HIS C C 77 172.700 174.399 -1.699 1
1 856 . 17 1 1 A 77 77 HIS CA C 77 54.400 54.401 -0.001 1
1 857 . 17 1 1 A 77 77 HIS CB C 77 31.700 32.206 -0.506 1
1 858 . 17 1 1 A 77 77 HIS N N 77 123.500 124.497 -0.997 1
1 859 . 17 1 1 A 78 78 ALA H H 78 9.190 8.684 0.506 1
1 860 . 17 1 1 A 78 78 ALA HA H 78 5.620 4.998 0.622 1
1 864 . 17 1 1 A 78 78 ALA C C 78 175.600 175.398 0.202 1
1 865 . 17 1 1 A 78 78 ALA CA C 78 50.300 51.127 -0.827 1
1 866 . 17 1 1 A 78 78 ALA CB C 78 24.100 24.337 -0.237 1
1 867 . 17 1 1 A 78 78 ALA N N 78 124.800 124.179 0.621 1
1 868 . 17 1 1 A 79 79 ARG H H 79 8.680 8.457 0.223 1
1 869 . 17 1 1 A 79 79 ARG HA H 79 5.230 5.277 -0.047 1
1 874 . 17 1 1 A 79 79 ARG C C 79 173.900 174.813 -0.913 1
1 875 . 17 1 1 A 79 79 ARG CA C 79 55.300 54.606 0.694 1
1 876 . 17 1 1 A 79 79 ARG CB C 79 34.400 34.274 0.126 1
1 879 . 17 1 1 A 79 79 ARG N N 79 119.100 118.476 0.624 1
1 880 . 17 1 1 A 80 80 PHE H H 80 8.970 9.235 -0.265 1
1 881 . 17 1 1 A 80 80 PHE HA H 80 4.720 4.913 -0.193 1
1 889 . 17 1 1 A 80 80 PHE C C 80 172.700 173.940 -1.240 1
1 890 . 17 1 1 A 80 80 PHE CA C 80 56.300 56.149 0.151 1
1 891 . 17 1 1 A 80 80 PHE CB C 80 42.600 43.064 -0.464 1
1 897 . 17 1 1 A 80 80 PHE N N 80 119.200 121.630 -2.430 1
1 898 . 17 1 1 A 81 81 LYS H H 81 9.350 8.363 0.987 1
1 899 . 17 1 1 A 81 81 LYS HA H 81 4.800 4.934 -0.134 1
1 908 . 17 1 1 A 81 81 LYS C C 81 174.500 174.665 -0.165 1
1 909 . 17 1 1 A 81 81 LYS CA C 81 55.600 54.732 0.868 1
1 910 . 17 1 1 A 81 81 LYS CB C 81 35.200 34.041 1.159 1
1 914 . 17 1 1 A 81 81 LYS N N 81 124.500 123.211 1.289 1
1 915 . 17 1 1 A 82 82 PHE H H 82 8.840 9.203 -0.363 1
1 916 . 17 1 1 A 82 82 PHE HA H 82 4.550 4.561 -0.011 1
1 924 . 17 1 1 A 82 82 PHE C C 82 173.200 175.910 -2.710 1
1 925 . 17 1 1 A 82 82 PHE CA C 82 57.800 56.477 1.323 1
1 926 . 17 1 1 A 82 82 PHE CB C 82 40.100 41.854 -1.754 1
1 932 . 17 1 1 A 82 82 PHE N N 82 127.900 125.533 2.367 1
1 933 . 17 1 1 A 83 83 GLU H H 83 7.590 8.707 -1.117 1
1 934 . 17 1 1 A 83 83 GLU HA H 83 4.120 4.172 -0.052 1
1 939 . 17 1 1 A 83 83 GLU C C 83 177.500 176.302 1.198 1
1 940 . 17 1 1 A 83 83 GLU CA C 83 58.900 58.742 0.158 1
1 941 . 17 1 1 A 83 83 GLU CB C 83 29.900 30.294 -0.394 1
1 943 . 17 1 1 A 83 83 GLU N N 83 119.400 123.334 -3.934 1
1 944 . 17 1 1 A 84 84 VAL H H 84 7.470 7.603 -0.133 1
1 945 . 17 1 1 A 84 84 VAL HA H 84 4.770 4.628 0.142 1
1 953 . 17 1 1 A 84 84 VAL C C 84 177.100 175.863 1.237 1
1 954 . 17 1 1 A 84 84 VAL CA C 84 58.500 58.874 -0.374 1
1 955 . 17 1 1 A 84 84 VAL CB C 84 36.000 35.183 0.817 1
1 958 . 17 1 1 A 84 84 VAL N N 84 108.000 114.082 -6.082 1
1 959 . 17 1 1 A 85 85 SER H H 85 8.980 9.054 -0.074 1
1 960 . 17 1 1 A 85 85 SER HA H 85 4.160 4.271 -0.111 1
1 963 . 17 1 1 A 85 85 SER C C 85 176.900 176.577 0.323 1
1 964 . 17 1 1 A 85 85 SER CA C 85 61.200 61.166 0.034 1
1 965 . 17 1 1 A 85 85 SER CB C 85 62.600 63.243 -0.643 1
1 966 . 17 1 1 A 85 85 SER N N 85 120.300 119.821 0.479 1
1 967 . 17 1 1 A 86 86 ALA H H 86 8.370 8.273 0.097 1
1 968 . 17 1 1 A 86 86 ALA HA H 86 4.000 3.900 0.100 1
1 972 . 17 1 1 A 86 86 ALA C C 86 180.500 179.780 0.720 1
1 973 . 17 1 1 A 86 86 ALA CA C 86 55.600 55.412 0.188 1
1 974 . 17 1 1 A 86 86 ALA CB C 86 18.500 18.212 0.288 1
1 975 . 17 1 1 A 86 86 ALA N N 86 121.800 122.853 -1.053 1
1 976 . 17 1 1 A 87 87 GLU H H 87 6.920 7.953 -1.033 1
1 977 . 17 1 1 A 87 87 GLU HA H 87 3.640 3.894 -0.254 1
1 982 . 17 1 1 A 87 87 GLU C C 87 176.700 178.767 -2.067 1
1 983 . 17 1 1 A 87 87 GLU CA C 87 58.000 59.084 -1.084 1
1 984 . 17 1 1 A 87 87 GLU CB C 87 29.300 29.168 0.132 1
1 986 . 17 1 1 A 87 87 GLU N N 87 114.800 117.906 -3.106 1
1 987 . 17 1 1 A 88 88 LYS H H 88 6.520 7.539 -1.019 1
1 988 . 17 1 1 A 88 88 LYS HA H 88 3.140 3.394 -0.254 1
1 997 . 17 1 1 A 88 88 LYS C C 88 178.100 178.821 -0.721 1
1 998 . 17 1 1 A 88 88 LYS CA C 88 59.700 59.017 0.683 1
1 999 . 17 1 1 A 88 88 LYS CB C 88 32.300 31.878 0.422 1
1 1003 . 17 1 1 A 88 88 LYS N N 88 119.900 121.352 -1.452 1
1 1004 . 17 1 1 A 89 89 LEU H H 89 7.920 7.747 0.173 1
1 1005 . 17 1 1 A 89 89 LEU HA H 89 4.080 3.996 0.084 1
1 1015 . 17 1 1 A 89 89 LEU C C 89 179.900 179.145 0.755 1
1 1016 . 17 1 1 A 89 89 LEU CA C 89 58.000 57.921 0.079 1
1 1017 . 17 1 1 A 89 89 LEU CB C 89 41.500 41.703 -0.203 1
1 1021 . 17 1 1 A 89 89 LEU N N 89 118.200 118.660 -0.460 1
1 1022 . 17 1 1 A 90 90 ILE H H 90 7.570 7.849 -0.279 1
1 1023 . 17 1 1 A 90 90 ILE HA H 90 3.710 3.552 0.158 1
1 1033 . 17 1 1 A 90 90 ILE C C 90 178.000 178.221 -0.221 1
1 1034 . 17 1 1 A 90 90 ILE CA C 90 64.700 65.113 -0.413 1
1 1035 . 17 1 1 A 90 90 ILE CB C 90 37.600 37.699 -0.099 1
1 1039 . 17 1 1 A 90 90 ILE N N 90 120.400 119.594 0.806 1
1 1040 . 17 1 1 A 91 91 PHE H H 91 8.180 8.844 -0.664 1
1 1041 . 17 1 1 A 91 91 PHE HA H 91 3.920 3.897 0.023 1
1 1049 . 17 1 1 A 91 91 PHE C C 91 177.200 177.221 -0.021 1
1 1050 . 17 1 1 A 91 91 PHE CA C 91 61.600 61.339 0.261 1
1 1051 . 17 1 1 A 91 91 PHE CB C 91 39.600 39.273 0.327 1
1 1057 . 17 1 1 A 91 91 PHE N N 91 120.100 120.015 0.085 1
1 1058 . 17 1 1 A 92 92 GLU H H 92 8.470 8.409 0.061 1
1 1059 . 17 1 1 A 92 92 GLU HA H 92 3.620 3.924 -0.304 1
1 1064 . 17 1 1 A 92 92 GLU C C 92 179.100 179.290 -0.190 1
1 1065 . 17 1 1 A 92 92 GLU CA C 92 60.100 59.126 0.974 1
1 1066 . 17 1 1 A 92 92 GLU CB C 92 29.300 29.490 -0.190 1
1 1068 . 17 1 1 A 92 92 GLU N N 92 118.800 119.316 -0.516 1
1 1069 . 17 1 1 A 93 93 LEU H H 93 7.980 8.342 -0.362 1
1 1070 . 17 1 1 A 93 93 LEU HA H 93 4.000 3.928 0.072 1
1 1080 . 17 1 1 A 93 93 LEU C C 93 180.600 179.137 1.463 1
1 1081 . 17 1 1 A 93 93 LEU CA C 93 58.300 57.923 0.377 1
1 1082 . 17 1 1 A 93 93 LEU CB C 93 41.700 41.162 0.538 1
1 1086 . 17 1 1 A 93 93 LEU N N 93 120.800 120.137 0.663 1
1 1087 . 17 1 1 A 94 94 LYS H H 94 8.340 8.023 0.317 1
1 1088 . 17 1 1 A 94 94 LYS HA H 94 3.990 3.830 0.160 1
1 1097 . 17 1 1 A 94 94 LYS C C 94 179.600 179.408 0.192 1
1 1098 . 17 1 1 A 94 94 LYS CA C 94 59.200 59.285 -0.085 1
1 1099 . 17 1 1 A 94 94 LYS CB C 94 33.100 32.147 0.953 1
1 1103 . 17 1 1 A 94 94 LYS N N 94 119.300 118.258 1.042 1
1 1104 . 17 1 1 A 95 95 THR H H 95 8.100 7.877 0.223 1
1 1105 . 17 1 1 A 95 95 THR HA H 95 3.640 3.406 0.234 1
1 1110 . 17 1 1 A 95 95 THR C C 95 176.800 176.688 0.112 1
1 1111 . 17 1 1 A 95 95 THR CA C 95 63.800 65.122 -1.322 1
1 1112 . 17 1 1 A 95 95 THR CB C 95 68.900 67.231 1.669 1
1 1114 . 17 1 1 A 95 95 THR N N 95 109.700 112.415 -2.715 1
1 1115 . 17 1 1 A 96 96 ARG H H 96 7.570 7.887 -0.317 1
1 1116 . 17 1 1 A 96 96 ARG HA H 96 4.060 4.031 0.029 1
1 1124 . 17 1 1 A 96 96 ARG C C 96 178.300 178.595 -0.295 1
1 1125 . 17 1 1 A 96 96 ARG CA C 96 59.500 59.991 -0.491 1
1 1126 . 17 1 1 A 96 96 ARG CB C 96 29.800 29.854 -0.054 1
1 1130 . 17 1 1 A 96 96 ARG N N 96 123.200 121.656 1.544 1
1 1132 . 17 1 1 A 97 97 ALA H H 97 7.520 7.584 -0.064 1
1 1133 . 17 1 1 A 97 97 ALA HA H 97 4.130 4.032 0.098 1
1 1137 . 17 1 1 A 97 97 ALA C C 97 179.500 180.608 -1.108 1
1 1138 . 17 1 1 A 97 97 ALA CA C 97 54.100 54.969 -0.869 1
1 1139 . 17 1 1 A 97 97 ALA CB C 97 18.200 18.003 0.197 1
1 1140 . 17 1 1 A 97 97 ALA N N 97 119.700 121.725 -2.025 1
1 1141 . 17 1 1 A 98 98 LEU H H 98 7.370 7.994 -0.624 1
1 1142 . 17 1 1 A 98 98 LEU HA H 98 4.070 4.016 0.054 1
1 1152 . 17 1 1 A 98 98 LEU C C 98 178.800 178.484 0.316 1
1 1153 . 17 1 1 A 98 98 LEU CA C 98 56.500 57.921 -1.421 1
1 1154 . 17 1 1 A 98 98 LEU CB C 98 41.700 41.322 0.378 1
1 1158 . 17 1 1 A 98 98 LEU N N 98 118.300 120.919 -2.619 1
1 1159 . 17 1 1 A 99 99 ALA H H 99 7.940 8.323 -0.383 1
1 1160 . 17 1 1 A 99 99 ALA HA H 99 4.250 4.100 0.150 1
1 1164 . 17 1 1 A 99 99 ALA C C 99 179.100 179.061 0.039 1
1 1165 . 17 1 1 A 99 99 ALA CA C 99 53.600 55.135 -1.535 1
1 1166 . 17 1 1 A 99 99 ALA CB C 99 18.600 18.133 0.467 1
1 1167 . 17 1 1 A 99 99 ALA N N 99 122.100 120.449 1.651 1
1 1168 . 17 1 1 A 100 100 ARG H H 100 7.840 7.653 0.187 1
1 1169 . 17 1 1 A 100 100 ARG HA H 100 4.210 4.349 -0.139 1
1 1176 . 17 1 1 A 100 100 ARG C C 100 177.100 175.451 1.649 1
1 1177 . 17 1 1 A 100 100 ARG CA C 100 57.100 55.842 1.258 1
1 1178 . 17 1 1 A 100 100 ARG CB C 100 30.300 30.452 -0.152 1
1 1181 . 17 1 1 A 100 100 ARG N N 100 117.900 115.010 2.890 1
1 1182 . 17 1 1 A 101 101 LEU H H 101 7.890 7.671 0.219 1
1 1183 . 17 1 1 A 101 101 LEU HA H 101 4.240 3.764 0.476 1
1 1193 . 17 1 1 A 101 101 LEU C C 101 177.800 175.912 1.888 1
1 1194 . 17 1 1 A 101 101 LEU CA C 101 55.700 55.699 0.001 1
1 1195 . 17 1 1 A 101 101 LEU CB C 101 41.900 40.566 1.334 1
1 1199 . 17 1 1 A 101 101 LEU N N 101 120.800 118.081 2.719 1
1 1200 . 17 1 1 A 102 102 GLU H H 102 8.040 7.400 0.640 1
1 1201 . 17 1 1 A 102 102 GLU HA H 102 4.240 4.206 0.034 1
1 1206 . 17 1 1 A 102 102 GLU C C 102 176.500 176.201 0.299 1
1 1207 . 17 1 1 A 102 102 GLU CA C 102 56.600 56.924 -0.324 1
1 1208 . 17 1 1 A 102 102 GLU CB C 102 30.000 30.691 -0.691 1
1 1210 . 17 1 1 A 102 102 GLU N N 102 120.100 118.946 1.154 1
1 1211 . 17 1 1 A 103 103 HIS H H 103 8.200 8.816 -0.616 1
1 1212 . 17 1 1 A 103 103 HIS HA H 103 4.540 4.650 -0.110 1
1 1216 . 17 1 1 A 103 103 HIS CA C 103 56.100 55.224 0.876 1
1 1217 . 17 1 1 A 103 103 HIS CB C 103 29.900 29.153 0.747 1
1 1218 . 17 1 1 A 103 103 HIS N N 103 119.200 121.759 -2.559 1
1 1219 . 17 1 1 A 107 107 HIS HA H 107 4.560 4.995 -0.435 1
1 1222 . 17 1 1 A 107 107 HIS C C 107 173.800 174.559 -0.759 1
1 1223 . 17 1 1 A 107 107 HIS CA C 107 55.800 55.208 0.592 1
1 1224 . 17 1 1 A 107 107 HIS CB C 107 29.900 32.779 -2.879 1
1 1 . 18 1 1 A 4 4 GLN HA H 4 4.360 4.807 -0.447 1
1 7 . 18 1 1 A 4 4 GLN C C 4 176.100 176.004 0.096 1
1 8 . 18 1 1 A 4 4 GLN CA C 4 56.000 54.817 1.183 1
1 9 . 18 1 1 A 4 4 GLN CB C 4 29.300 31.784 -2.484 1
1 11 . 18 1 1 A 5 5 THR H H 5 8.280 8.360 -0.080 1
1 12 . 18 1 1 A 5 5 THR HA H 5 4.320 4.512 -0.192 1
1 17 . 18 1 1 A 5 5 THR C C 5 174.300 175.040 -0.740 1
1 18 . 18 1 1 A 5 5 THR CA C 5 62.200 61.800 0.400 1
1 19 . 18 1 1 A 5 5 THR CB C 5 69.600 69.334 0.266 1
1 21 . 18 1 1 A 5 5 THR N N 5 115.700 115.565 0.135 1
1 22 . 18 1 1 A 6 6 CYS H H 6 8.410 7.721 0.689 1
1 23 . 18 1 1 A 6 6 CYS HA H 6 4.540 4.371 0.169 1
1 26 . 18 1 1 A 6 6 CYS C C 6 174.400 174.697 -0.297 1
1 27 . 18 1 1 A 6 6 CYS CA C 6 58.200 58.862 -0.662 1
1 28 . 18 1 1 A 6 6 CYS CB C 6 27.800 26.666 1.134 1
1 29 . 18 1 1 A 6 6 CYS N N 6 121.900 123.036 -1.136 1
1 30 . 18 1 1 A 7 7 VAL H H 7 8.290 8.706 -0.416 1
1 31 . 18 1 1 A 7 7 VAL HA H 7 4.090 4.106 -0.016 1
1 39 . 18 1 1 A 7 7 VAL C C 7 176.100 175.992 0.108 1
1 40 . 18 1 1 A 7 7 VAL CA C 7 62.400 63.770 -1.370 1
1 41 . 18 1 1 A 7 7 VAL CB C 7 32.500 32.834 -0.334 1
1 44 . 18 1 1 A 7 7 VAL N N 7 122.700 125.113 -2.413 1
1 45 . 18 1 1 A 8 8 GLU H H 8 8.510 8.145 0.365 1
1 46 . 18 1 1 A 8 8 GLU HA H 8 4.240 4.267 -0.027 1
1 51 . 18 1 1 A 8 8 GLU C C 8 176.100 175.749 0.351 1
1 52 . 18 1 1 A 8 8 GLU CA C 8 56.900 58.282 -1.382 1
1 53 . 18 1 1 A 8 8 GLU CB C 8 30.100 29.109 0.991 1
1 55 . 18 1 1 A 8 8 GLU N N 8 124.300 121.810 2.490 1
1 56 . 18 1 1 A 9 9 ASN H H 9 8.390 8.478 -0.088 1
1 57 . 18 1 1 A 9 9 ASN HA H 9 4.650 5.010 -0.360 1
1 62 . 18 1 1 A 9 9 ASN C C 9 174.900 174.265 0.635 1
1 63 . 18 1 1 A 9 9 ASN CA C 9 53.400 52.580 0.820 1
1 64 . 18 1 1 A 9 9 ASN CB C 9 39.000 38.841 0.159 1
1 66 . 18 1 1 A 9 9 ASN N N 9 119.300 123.878 -4.578 1
1 68 . 18 1 1 A 10 10 GLU H H 10 8.330 8.451 -0.121 1
1 69 . 18 1 1 A 10 10 GLU HA H 10 4.250 4.622 -0.372 1
1 74 . 18 1 1 A 10 10 GLU C C 10 176.400 174.665 1.735 1
1 75 . 18 1 1 A 10 10 GLU CA C 10 56.800 56.182 0.618 1
1 76 . 18 1 1 A 10 10 GLU CB C 10 30.200 33.028 -2.828 1
1 78 . 18 1 1 A 10 10 GLU N N 10 121.400 125.896 -4.496 1
1 79 . 18 1 1 A 11 11 VAL H H 11 8.250 8.681 -0.431 1
1 80 . 18 1 1 A 11 11 VAL HA H 11 4.090 4.488 -0.398 1
1 88 . 18 1 1 A 11 11 VAL C C 11 176.100 175.490 0.610 1
1 89 . 18 1 1 A 11 11 VAL CA C 11 62.400 61.418 0.982 1
1 90 . 18 1 1 A 11 11 VAL CB C 11 32.500 32.714 -0.214 1
1 93 . 18 1 1 A 11 11 VAL N N 11 121.900 122.637 -0.737 1
1 94 . 18 1 1 A 12 12 CYS H H 12 8.450 8.842 -0.392 1
1 95 . 18 1 1 A 12 12 CYS HA H 12 4.500 5.099 -0.599 1
1 98 . 18 1 1 A 12 12 CYS C C 12 174.400 174.033 0.367 1
1 99 . 18 1 1 A 12 12 CYS CA C 12 58.300 57.964 0.336 1
1 100 . 18 1 1 A 12 12 CYS CB C 12 28.000 28.905 -0.905 1
1 101 . 18 1 1 A 12 12 CYS N N 12 123.800 125.082 -1.282 1
1 102 . 18 1 1 A 13 13 GLU H H 13 8.560 8.694 -0.134 1
1 103 . 18 1 1 A 13 13 GLU HA H 13 4.260 4.788 -0.528 1
1 108 . 18 1 1 A 13 13 GLU C C 13 176.100 174.510 1.590 1
1 109 . 18 1 1 A 13 13 GLU CA C 13 56.700 56.480 0.220 1
1 110 . 18 1 1 A 13 13 GLU CB C 13 30.200 31.603 -1.403 1
1 112 . 18 1 1 A 13 13 GLU N N 13 124.100 123.529 0.571 1
1 113 . 18 1 1 A 14 14 ALA H H 14 8.400 8.402 -0.002 1
1 114 . 18 1 1 A 14 14 ALA HA H 14 4.350 4.464 -0.114 1
1 118 . 18 1 1 A 14 14 ALA C C 14 177.700 178.250 -0.550 1
1 119 . 18 1 1 A 14 14 ALA CA C 14 52.600 51.628 0.972 1
1 120 . 18 1 1 A 14 14 ALA CB C 14 19.100 20.954 -1.854 1
1 121 . 18 1 1 A 14 14 ALA N N 14 125.400 129.192 -3.792 1
1 122 . 18 1 1 A 15 15 CYS H H 15 8.370 8.251 0.119 1
1 123 . 18 1 1 A 15 15 CYS HA H 15 4.490 4.085 0.405 1
1 126 . 18 1 1 A 15 15 CYS C C 15 175.100 174.203 0.897 1
1 127 . 18 1 1 A 15 15 CYS CA C 15 58.400 61.553 -3.153 1
1 128 . 18 1 1 A 15 15 CYS CB C 15 28.000 26.272 1.728 1
1 129 . 18 1 1 A 15 15 CYS N N 15 118.500 115.023 3.477 1
1 130 . 18 1 1 A 16 16 GLY H H 16 8.480 7.693 0.787 1
1 131 . 18 1 1 A 16 16 GLY HA2 H 16 3.970 4.151 -0.181 1
1 132 . 18 1 1 A 16 16 GLY HA3 H 16 3.970 4.152 -0.182 1
1 133 . 18 1 1 A 16 16 GLY C C 16 174.100 172.352 1.748 1
1 134 . 18 1 1 A 16 16 GLY CA C 16 45.400 45.958 -0.558 1
1 135 . 18 1 1 A 16 16 GLY N N 16 111.300 104.151 7.149 1
1 136 . 18 1 1 A 17 17 CYS H H 17 8.300 8.641 -0.341 1
1 137 . 18 1 1 A 17 17 CYS HA H 17 4.500 4.573 -0.073 1
1 140 . 18 1 1 A 17 17 CYS C C 17 174.500 174.576 -0.076 1
1 141 . 18 1 1 A 17 17 CYS CA C 17 58.300 59.027 -0.727 1
1 142 . 18 1 1 A 17 17 CYS CB C 17 28.100 28.046 0.054 1
1 143 . 18 1 1 A 17 17 CYS N N 17 118.900 119.418 -0.518 1
1 144 . 18 1 1 A 18 18 ALA H H 18 8.520 8.352 0.168 1
1 145 . 18 1 1 A 18 18 ALA HA H 18 4.260 4.322 -0.062 1
1 149 . 18 1 1 A 18 18 ALA C C 18 178.000 177.739 0.261 1
1 150 . 18 1 1 A 18 18 ALA CA C 18 52.900 52.499 0.401 1
1 151 . 18 1 1 A 18 18 ALA CB C 18 19.000 18.978 0.022 1
1 152 . 18 1 1 A 18 18 ALA N N 18 126.800 125.811 0.989 1
1 153 . 18 1 1 A 19 19 GLY H H 19 8.310 8.341 -0.031 1
1 154 . 18 1 1 A 19 19 GLY HA2 H 19 3.890 4.190 -0.300 1
1 155 . 18 1 1 A 19 19 GLY HA3 H 19 3.890 4.191 -0.301 1
1 156 . 18 1 1 A 19 19 GLY C C 19 174.000 173.951 0.049 1
1 157 . 18 1 1 A 19 19 GLY CA C 19 45.000 45.918 -0.918 1
1 158 . 18 1 1 A 19 19 GLY N N 19 108.100 109.119 -1.019 1
1 159 . 18 1 1 A 20 20 GLU H H 20 8.180 8.843 -0.663 1
1 160 . 18 1 1 A 20 20 GLU HA H 20 4.270 4.072 0.198 1
1 165 . 18 1 1 A 20 20 GLU C C 20 176.400 178.179 -1.779 1
1 166 . 18 1 1 A 20 20 GLU CA C 20 56.200 57.754 -1.554 1
1 167 . 18 1 1 A 20 20 GLU CB C 20 30.100 29.020 1.080 1
1 169 . 18 1 1 A 20 20 GLU N N 20 120.500 121.031 -0.531 1
1 170 . 18 1 1 A 21 21 ILE H H 21 8.160 7.631 0.529 1
1 171 . 18 1 1 A 21 21 ILE HA H 21 4.020 3.739 0.281 1
1 181 . 18 1 1 A 21 21 ILE C C 21 176.400 176.327 0.073 1
1 182 . 18 1 1 A 21 21 ILE CA C 21 61.200 64.876 -3.676 1
1 183 . 18 1 1 A 21 21 ILE CB C 21 38.200 38.072 0.128 1
1 187 . 18 1 1 A 21 21 ILE N N 21 122.000 119.906 2.094 1
1 188 . 18 1 1 A 22 22 GLY H H 22 8.260 7.730 0.530 1
1 189 . 18 1 1 A 22 22 GLY HA2 H 22 3.740 3.770 -0.030 1
1 190 . 18 1 1 A 22 22 GLY HA3 H 22 3.880 3.949 -0.069 1
1 191 . 18 1 1 A 22 22 GLY C C 22 173.200 172.308 0.892 1
1 192 . 18 1 1 A 22 22 GLY CA C 22 45.100 45.420 -0.320 1
1 193 . 18 1 1 A 22 22 GLY N N 22 112.500 106.819 5.681 1
1 194 . 18 1 1 A 23 23 PHE H H 23 7.890 8.496 -0.606 1
1 195 . 18 1 1 A 23 23 PHE HA H 23 4.550 4.641 -0.091 1
1 202 . 18 1 1 A 23 23 PHE CA C 23 58.100 58.847 -0.747 1
1 203 . 18 1 1 A 23 23 PHE CB C 23 41.200 39.469 1.731 1
1 206 . 18 1 1 A 23 23 PHE N N 23 119.700 120.731 -1.031 1
1 207 . 18 1 1 A 24 24 ILE HA H 24 3.970 4.122 -0.152 1
1 217 . 18 1 1 A 24 24 ILE CA C 24 62.400 63.241 -0.841 1
1 218 . 18 1 1 A 24 24 ILE CB C 24 37.700 38.044 -0.344 1
1 222 . 18 1 1 A 25 25 ILE H H 25 8.950 7.846 1.104 1
1 223 . 18 1 1 A 25 25 ILE HA H 25 3.740 3.722 0.018 1
1 233 . 18 1 1 A 25 25 ILE C C 25 175.200 176.171 -0.971 1
1 234 . 18 1 1 A 25 25 ILE CA C 25 62.700 65.034 -2.334 1
1 235 . 18 1 1 A 25 25 ILE CB C 25 38.200 37.526 0.674 1
1 239 . 18 1 1 A 25 25 ILE N N 25 124.800 121.447 3.353 1
1 240 . 18 1 1 A 26 26 ARG H H 26 8.040 8.049 -0.009 1
1 241 . 18 1 1 A 26 26 ARG HA H 26 4.140 3.980 0.160 1
1 248 . 18 1 1 A 26 26 ARG C C 26 175.900 175.408 0.492 1
1 249 . 18 1 1 A 26 26 ARG CA C 26 55.300 56.956 -1.656 1
1 250 . 18 1 1 A 26 26 ARG CB C 26 31.100 29.253 1.847 1
1 253 . 18 1 1 A 26 26 ARG N N 26 128.100 121.752 6.348 1
1 254 . 18 1 1 A 27 27 GLU H H 27 8.560 8.554 0.006 1
1 255 . 18 1 1 A 27 27 GLU HA H 27 4.030 3.988 0.042 1
1 260 . 18 1 1 A 27 27 GLU C C 27 176.300 175.674 0.626 1
1 261 . 18 1 1 A 27 27 GLU CA C 27 57.000 57.253 -0.253 1
1 262 . 18 1 1 A 27 27 GLU CB C 27 30.000 28.223 1.777 1
1 264 . 18 1 1 A 27 27 GLU N N 27 123.500 120.885 2.615 1
1 265 . 18 1 1 A 28 28 GLY H H 28 8.420 8.025 0.395 1
1 266 . 18 1 1 A 28 28 GLY HA2 H 28 4.050 3.982 0.068 1
1 267 . 18 1 1 A 28 28 GLY HA3 H 28 4.220 3.991 0.229 1
1 268 . 18 1 1 A 28 28 GLY C C 28 174.000 174.736 -0.736 1
1 269 . 18 1 1 A 28 28 GLY CA C 28 45.400 45.542 -0.142 1
1 270 . 18 1 1 A 28 28 GLY N N 28 108.300 108.139 0.161 1
1 271 . 18 1 1 A 29 29 ASP H H 29 8.690 9.290 -0.600 1
1 272 . 18 1 1 A 29 29 ASP HA H 29 4.430 4.264 0.166 1
1 275 . 18 1 1 A 29 29 ASP C C 29 175.200 174.978 0.222 1
1 276 . 18 1 1 A 29 29 ASP CA C 29 56.300 54.926 1.374 1
1 277 . 18 1 1 A 29 29 ASP CB C 29 40.300 39.608 0.692 1
1 278 . 18 1 1 A 29 29 ASP N N 29 119.800 126.102 -6.302 1
1 279 . 18 1 1 A 30 30 ASP H H 30 8.630 8.624 0.006 1
1 280 . 18 1 1 A 30 30 ASP HA H 30 4.260 4.322 -0.062 1
1 283 . 18 1 1 A 30 30 ASP C C 30 174.300 174.675 -0.375 1
1 284 . 18 1 1 A 30 30 ASP CA C 30 52.600 54.788 -2.188 1
1 285 . 18 1 1 A 30 30 ASP CB C 30 39.200 39.571 -0.371 1
1 286 . 18 1 1 A 30 30 ASP N N 30 114.900 119.614 -4.714 1
1 287 . 18 1 1 A 31 31 VAL H H 31 7.550 8.794 -1.244 1
1 288 . 18 1 1 A 31 31 VAL HA H 31 5.300 5.041 0.259 1
1 296 . 18 1 1 A 31 31 VAL C C 31 175.800 174.344 1.456 1
1 297 . 18 1 1 A 31 31 VAL CA C 31 60.700 60.008 0.692 1
1 298 . 18 1 1 A 31 31 VAL CB C 31 35.000 35.207 -0.207 1
1 301 . 18 1 1 A 31 31 VAL N N 31 120.500 124.056 -3.556 1
1 302 . 18 1 1 A 32 32 ALA H H 32 9.580 9.466 0.114 1
1 303 . 18 1 1 A 32 32 ALA HA H 32 5.030 5.395 -0.365 1
1 307 . 18 1 1 A 32 32 ALA C C 32 175.800 174.875 0.925 1
1 308 . 18 1 1 A 32 32 ALA CA C 32 50.000 50.339 -0.339 1
1 309 . 18 1 1 A 32 32 ALA CB C 32 22.800 23.637 -0.837 1
1 310 . 18 1 1 A 32 32 ALA N N 32 130.500 126.583 3.917 1
1 311 . 18 1 1 A 33 33 GLU H H 33 9.270 8.837 0.433 1
1 312 . 18 1 1 A 33 33 GLU HA H 33 5.140 5.073 0.067 1
1 317 . 18 1 1 A 33 33 GLU C C 33 175.900 175.189 0.711 1
1 318 . 18 1 1 A 33 33 GLU CA C 33 55.300 55.408 -0.108 1
1 319 . 18 1 1 A 33 33 GLU CB C 33 31.500 31.807 -0.307 1
1 321 . 18 1 1 A 33 33 GLU N N 33 124.500 121.534 2.966 1
1 322 . 18 1 1 A 34 34 VAL H H 34 9.140 8.412 0.728 1
1 323 . 18 1 1 A 34 34 VAL HA H 34 4.580 4.926 -0.346 1
1 331 . 18 1 1 A 34 34 VAL C C 34 174.300 174.652 -0.352 1
1 332 . 18 1 1 A 34 34 VAL CA C 34 60.800 60.834 -0.034 1
1 333 . 18 1 1 A 34 34 VAL CB C 34 35.700 34.575 1.125 1
1 336 . 18 1 1 A 34 34 VAL N N 34 124.700 127.200 -2.500 1
1 337 . 18 1 1 A 35 35 SER H H 35 8.450 8.926 -0.476 1
1 338 . 18 1 1 A 35 35 SER HA H 35 5.060 5.177 -0.117 1
1 341 . 18 1 1 A 35 35 SER C C 35 172.100 172.555 -0.455 1
1 342 . 18 1 1 A 35 35 SER CA C 35 56.900 57.422 -0.522 1
1 343 . 18 1 1 A 35 35 SER CB C 35 64.800 65.263 -0.463 1
1 344 . 18 1 1 A 35 35 SER N N 35 122.100 124.145 -2.045 1
1 345 . 18 1 1 A 36 36 LEU H H 36 8.540 8.528 0.012 1
1 346 . 18 1 1 A 36 36 LEU HA H 36 4.570 5.205 -0.635 1
1 356 . 18 1 1 A 36 36 LEU C C 36 174.200 174.077 0.123 1
1 357 . 18 1 1 A 36 36 LEU CA C 36 52.600 52.314 0.286 1
1 358 . 18 1 1 A 36 36 LEU CB C 36 45.600 45.685 -0.085 1
1 362 . 18 1 1 A 36 36 LEU N N 36 123.600 128.384 -4.784 1
1 363 . 18 1 1 A 37 37 PHE H H 37 8.400 8.885 -0.485 1
1 364 . 18 1 1 A 37 37 PHE HA H 37 5.300 5.384 -0.084 1
1 369 . 18 1 1 A 37 37 PHE C C 37 175.600 176.112 -0.512 1
1 370 . 18 1 1 A 37 37 PHE CA C 37 56.300 55.748 0.552 1
1 371 . 18 1 1 A 37 37 PHE CB C 37 42.000 41.867 0.133 1
1 374 . 18 1 1 A 37 37 PHE N N 37 118.300 125.278 -6.978 1
1 375 . 18 1 1 A 38 38 GLY H H 38 8.340 8.763 -0.423 1
1 376 . 18 1 1 A 38 38 GLY HA2 H 38 3.750 4.334 -0.584 1
1 377 . 18 1 1 A 38 38 GLY HA3 H 38 4.210 4.335 -0.125 1
1 378 . 18 1 1 A 38 38 GLY CA C 38 45.600 45.770 -0.170 1
1 379 . 18 1 1 A 38 38 GLY N N 38 109.300 109.431 -0.131 1
1 380 . 18 1 1 A 39 39 SER HA H 39 4.210 4.545 -0.335 1
1 383 . 18 1 1 A 39 39 SER C C 39 173.700 173.598 0.102 1
1 384 . 18 1 1 A 39 39 SER CA C 39 60.100 58.615 1.485 1
1 385 . 18 1 1 A 39 39 SER CB C 39 63.900 63.544 0.356 1
1 386 . 18 1 1 A 40 40 ASP H H 40 7.670 8.047 -0.377 1
1 387 . 18 1 1 A 40 40 ASP HA H 40 4.810 4.716 0.094 1
1 390 . 18 1 1 A 40 40 ASP C C 40 175.500 177.047 -1.547 1
1 391 . 18 1 1 A 40 40 ASP CA C 40 52.900 54.023 -1.123 1
1 392 . 18 1 1 A 40 40 ASP CB C 40 41.300 42.034 -0.734 1
1 393 . 18 1 1 A 40 40 ASP N N 40 115.800 121.929 -6.129 1
1 394 . 18 1 1 A 41 41 LYS H H 41 8.260 8.738 -0.478 1
1 395 . 18 1 1 A 41 41 LYS HA H 41 3.780 3.985 -0.205 1
1 404 . 18 1 1 A 41 41 LYS C C 41 177.100 178.039 -0.939 1
1 405 . 18 1 1 A 41 41 LYS CA C 41 60.500 59.150 1.350 1
1 406 . 18 1 1 A 41 41 LYS CB C 41 33.400 32.089 1.311 1
1 410 . 18 1 1 A 41 41 LYS N N 41 120.200 126.196 -5.996 1
1 411 . 18 1 1 A 42 42 ALA H H 42 8.420 7.769 0.651 1
1 412 . 18 1 1 A 42 42 ALA HA H 42 4.180 4.161 0.019 1
1 416 . 18 1 1 A 42 42 ALA C C 42 181.900 179.460 2.440 1
1 417 . 18 1 1 A 42 42 ALA CA C 42 55.400 54.943 0.457 1
1 418 . 18 1 1 A 42 42 ALA CB C 42 17.700 18.023 -0.323 1
1 419 . 18 1 1 A 42 42 ALA N N 42 120.700 122.024 -1.324 1
1 420 . 18 1 1 A 43 43 HIS H H 43 8.490 8.174 0.316 1
1 421 . 18 1 1 A 43 43 HIS HA H 43 4.330 4.357 -0.027 1
1 424 . 18 1 1 A 43 43 HIS C C 43 178.800 177.988 0.812 1
1 425 . 18 1 1 A 43 43 HIS CA C 43 59.600 59.673 -0.073 1
1 426 . 18 1 1 A 43 43 HIS CB C 43 30.300 29.954 0.346 1
1 427 . 18 1 1 A 43 43 HIS N N 43 118.000 116.124 1.876 1
1 428 . 18 1 1 A 44 44 LEU H H 44 8.340 8.098 0.242 1
1 429 . 18 1 1 A 44 44 LEU HA H 44 3.750 3.835 -0.085 1
1 439 . 18 1 1 A 44 44 LEU C C 44 178.500 179.141 -0.641 1
1 440 . 18 1 1 A 44 44 LEU CA C 44 58.200 57.977 0.223 1
1 441 . 18 1 1 A 44 44 LEU CB C 44 42.100 41.384 0.716 1
1 445 . 18 1 1 A 44 44 LEU N N 44 121.500 119.581 1.919 1
1 446 . 18 1 1 A 45 45 GLU H H 45 8.880 8.584 0.296 1
1 447 . 18 1 1 A 45 45 GLU HA H 45 3.750 4.067 -0.317 1
1 452 . 18 1 1 A 45 45 GLU C C 45 180.200 180.061 0.139 1
1 453 . 18 1 1 A 45 45 GLU CA C 45 60.000 59.518 0.482 1
1 454 . 18 1 1 A 45 45 GLU CB C 45 29.000 29.029 -0.029 1
1 456 . 18 1 1 A 45 45 GLU N N 45 118.300 118.110 0.190 1
1 457 . 18 1 1 A 46 46 GLY H H 46 7.970 8.205 -0.235 1
1 458 . 18 1 1 A 46 46 GLY HA2 H 46 3.920 3.727 0.193 1
1 459 . 18 1 1 A 46 46 GLY HA3 H 46 3.920 3.742 0.178 1
1 460 . 18 1 1 A 46 46 GLY C C 46 176.500 175.711 0.789 1
1 461 . 18 1 1 A 46 46 GLY CA C 46 46.900 47.290 -0.390 1
1 462 . 18 1 1 A 46 46 GLY N N 46 108.100 109.930 -1.830 1
1 463 . 18 1 1 A 47 47 LYS H H 47 7.690 7.938 -0.248 1
1 464 . 18 1 1 A 47 47 LYS HA H 47 4.320 4.066 0.254 1
1 473 . 18 1 1 A 47 47 LYS C C 47 179.400 179.550 -0.150 1
1 474 . 18 1 1 A 47 47 LYS CA C 47 58.400 59.398 -0.998 1
1 475 . 18 1 1 A 47 47 LYS CB C 47 32.100 32.328 -0.228 1
1 479 . 18 1 1 A 47 47 LYS N N 47 122.400 122.338 0.062 1
1 480 . 18 1 1 A 48 48 LEU H H 48 8.550 8.410 0.140 1
1 481 . 18 1 1 A 48 48 LEU HA H 48 3.980 4.054 -0.074 1
1 491 . 18 1 1 A 48 48 LEU C C 48 178.300 178.500 -0.200 1
1 492 . 18 1 1 A 48 48 LEU CA C 48 57.900 57.782 0.118 1
1 493 . 18 1 1 A 48 48 LEU CB C 48 40.800 41.097 -0.297 1
1 497 . 18 1 1 A 48 48 LEU N N 48 120.600 121.656 -1.056 1
1 498 . 18 1 1 A 49 49 ALA H H 49 7.810 8.282 -0.472 1
1 499 . 18 1 1 A 49 49 ALA HA H 49 4.000 3.964 0.036 1
1 503 . 18 1 1 A 49 49 ALA C C 49 180.400 180.251 0.149 1
1 504 . 18 1 1 A 49 49 ALA CA C 49 55.600 55.270 0.330 1
1 505 . 18 1 1 A 49 49 ALA CB C 49 17.900 18.386 -0.486 1
1 506 . 18 1 1 A 49 49 ALA N N 49 120.000 120.126 -0.126 1
1 507 . 18 1 1 A 50 50 GLU H H 50 7.520 8.003 -0.483 1
1 508 . 18 1 1 A 50 50 GLU HA H 50 4.130 4.104 0.026 1
1 513 . 18 1 1 A 50 50 GLU C C 50 179.600 179.156 0.444 1
1 514 . 18 1 1 A 50 50 GLU CA C 50 59.200 58.840 0.360 1
1 515 . 18 1 1 A 50 50 GLU CB C 50 29.800 29.592 0.208 1
1 517 . 18 1 1 A 50 50 GLU N N 50 117.300 118.866 -1.566 1
1 518 . 18 1 1 A 51 51 TYR H H 51 7.860 8.244 -0.384 1
1 519 . 18 1 1 A 51 51 TYR HA H 51 3.900 4.305 -0.405 1
1 526 . 18 1 1 A 51 51 TYR C C 51 177.900 178.413 -0.513 1
1 527 . 18 1 1 A 51 51 TYR CA C 51 62.400 60.980 1.420 1
1 528 . 18 1 1 A 51 51 TYR CB C 51 38.200 38.169 0.031 1
1 533 . 18 1 1 A 51 51 TYR N N 51 120.300 119.576 0.724 1
1 534 . 18 1 1 A 52 52 ILE H H 52 8.590 8.067 0.523 1
1 535 . 18 1 1 A 52 52 ILE HA H 52 3.420 3.524 -0.104 1
1 545 . 18 1 1 A 52 52 ILE C C 52 177.400 178.191 -0.791 1
1 546 . 18 1 1 A 52 52 ILE CA C 52 66.200 65.253 0.947 1
1 547 . 18 1 1 A 52 52 ILE CB C 52 38.200 38.122 0.078 1
1 551 . 18 1 1 A 52 52 ILE N N 52 120.100 120.832 -0.732 1
1 552 . 18 1 1 A 53 53 SER H H 53 7.860 8.136 -0.276 1
1 553 . 18 1 1 A 53 53 SER HA H 53 4.080 4.260 -0.180 1
1 556 . 18 1 1 A 53 53 SER C C 53 177.700 177.850 -0.150 1
1 557 . 18 1 1 A 53 53 SER CA C 53 61.800 61.742 0.058 1
1 558 . 18 1 1 A 53 53 SER CB C 53 62.600 62.322 0.278 1
1 559 . 18 1 1 A 53 53 SER N N 53 113.100 115.188 -2.088 1
1 560 . 18 1 1 A 54 54 LEU H H 54 7.610 8.272 -0.662 1
1 561 . 18 1 1 A 54 54 LEU HA H 54 4.090 4.083 0.007 1
1 571 . 18 1 1 A 54 54 LEU C C 54 178.600 179.085 -0.485 1
1 572 . 18 1 1 A 54 54 LEU CA C 54 58.000 57.755 0.245 1
1 573 . 18 1 1 A 54 54 LEU CB C 54 42.200 41.550 0.650 1
1 577 . 18 1 1 A 54 54 LEU N N 54 121.200 122.950 -1.750 1
1 578 . 18 1 1 A 55 55 ALA H H 55 8.640 8.846 -0.206 1
1 579 . 18 1 1 A 55 55 ALA HA H 55 3.860 4.308 -0.448 1
1 583 . 18 1 1 A 55 55 ALA C C 55 179.100 179.916 -0.816 1
1 584 . 18 1 1 A 55 55 ALA CA C 55 56.200 55.815 0.385 1
1 585 . 18 1 1 A 55 55 ALA CB C 55 19.000 18.881 0.119 1
1 586 . 18 1 1 A 55 55 ALA N N 55 121.900 122.142 -0.242 1
1 587 . 18 1 1 A 56 56 LYS H H 56 8.120 8.078 0.042 1
1 588 . 18 1 1 A 56 56 LYS HA H 56 4.220 4.186 0.034 1
1 597 . 18 1 1 A 56 56 LYS C C 56 178.800 178.967 -0.167 1
1 598 . 18 1 1 A 56 56 LYS CA C 56 58.300 59.528 -1.228 1
1 599 . 18 1 1 A 56 56 LYS CB C 56 32.900 32.320 0.580 1
1 603 . 18 1 1 A 56 56 LYS N N 56 115.600 117.491 -1.891 1
1 604 . 18 1 1 A 57 57 GLN H H 57 7.590 7.864 -0.274 1
1 605 . 18 1 1 A 57 57 GLN HA H 57 4.010 4.147 -0.137 1
1 612 . 18 1 1 A 57 57 GLN C C 57 178.300 178.693 -0.393 1
1 613 . 18 1 1 A 57 57 GLN CA C 57 58.400 58.809 -0.409 1
1 614 . 18 1 1 A 57 57 GLN CB C 57 28.600 28.376 0.224 1
1 617 . 18 1 1 A 57 57 GLN N N 57 117.900 119.708 -1.808 1
1 619 . 18 1 1 A 58 58 VAL H H 58 7.650 8.266 -0.616 1
1 620 . 18 1 1 A 58 58 VAL HA H 58 3.750 3.837 -0.087 1
1 628 . 18 1 1 A 58 58 VAL C C 58 176.400 175.986 0.414 1
1 629 . 18 1 1 A 58 58 VAL CA C 58 65.500 65.999 -0.499 1
1 630 . 18 1 1 A 58 58 VAL CB C 58 32.000 32.390 -0.390 1
1 633 . 18 1 1 A 58 58 VAL N N 58 120.200 120.349 -0.149 1
1 634 . 18 1 1 A 59 59 TYR H H 59 8.700 8.358 0.342 1
1 635 . 18 1 1 A 59 59 TYR HA H 59 5.040 4.879 0.161 1
1 642 . 18 1 1 A 59 59 TYR C C 59 174.100 174.045 0.055 1
1 643 . 18 1 1 A 59 59 TYR CA C 59 55.500 56.663 -1.163 1
1 644 . 18 1 1 A 59 59 TYR CB C 59 40.500 41.871 -1.371 1
1 649 . 18 1 1 A 59 59 TYR N N 59 120.400 120.279 0.121 1
1 650 . 18 1 1 A 60 60 ALA H H 60 8.900 8.135 0.765 1
1 651 . 18 1 1 A 60 60 ALA HA H 60 4.230 4.188 0.042 1
1 655 . 18 1 1 A 60 60 ALA CA C 60 55.400 52.463 2.937 1
1 656 . 18 1 1 A 60 60 ALA CB C 60 18.100 19.149 -1.049 1
1 657 . 18 1 1 A 60 60 ALA N N 60 131.000 128.988 2.012 1
1 658 . 18 1 1 A 61 61 ASN H H 61 5.430 9.041 -3.611 1
1 659 . 18 1 1 A 61 61 ASN HA H 61 4.760 4.480 0.280 1
1 664 . 18 1 1 A 61 61 ASN C C 61 173.200 175.211 -2.011 1
1 665 . 18 1 1 A 61 61 ASN CA C 61 51.800 53.973 -2.173 1
1 666 . 18 1 1 A 61 61 ASN CB C 61 37.600 36.279 1.321 1
1 668 . 18 1 1 A 61 61 ASN N N 61 111.100 120.893 -9.793 1
1 670 . 18 1 1 A 62 62 VAL H H 62 6.870 7.982 -1.112 1
1 671 . 18 1 1 A 62 62 VAL HA H 62 3.730 4.369 -0.639 1
1 679 . 18 1 1 A 62 62 VAL C C 62 172.400 175.107 -2.707 1
1 680 . 18 1 1 A 62 62 VAL CA C 62 62.500 62.482 0.018 1
1 681 . 18 1 1 A 62 62 VAL CB C 62 31.300 32.536 -1.236 1
1 684 . 18 1 1 A 62 62 VAL N N 62 120.400 120.887 -0.487 1
1 685 . 18 1 1 A 63 63 GLU H H 63 7.360 8.387 -1.027 1
1 686 . 18 1 1 A 63 63 GLU HA H 63 4.590 4.998 -0.408 1
1 691 . 18 1 1 A 63 63 GLU C C 63 174.500 175.293 -0.793 1
1 692 . 18 1 1 A 63 63 GLU CA C 63 54.000 54.852 -0.852 1
1 693 . 18 1 1 A 63 63 GLU CB C 63 32.700 32.308 0.392 1
1 695 . 18 1 1 A 63 63 GLU N N 63 126.500 126.980 -0.480 1
1 696 . 18 1 1 A 64 64 TYR H H 64 8.300 8.392 -0.092 1
1 697 . 18 1 1 A 64 64 TYR HA H 64 5.400 5.055 0.345 1
1 704 . 18 1 1 A 64 64 TYR C C 64 173.400 172.810 0.590 1
1 705 . 18 1 1 A 64 64 TYR CA C 64 54.800 55.517 -0.717 1
1 706 . 18 1 1 A 64 64 TYR CB C 64 41.800 41.360 0.440 1
1 711 . 18 1 1 A 64 64 TYR N N 64 118.800 119.516 -0.716 1
1 712 . 18 1 1 A 65 65 GLU H H 65 8.470 8.740 -0.270 1
1 713 . 18 1 1 A 65 65 GLU HA H 65 4.440 4.871 -0.431 1
1 718 . 18 1 1 A 65 65 GLU C C 65 173.800 174.749 -0.949 1
1 719 . 18 1 1 A 65 65 GLU CA C 65 54.600 54.977 -0.377 1
1 720 . 18 1 1 A 65 65 GLU CB C 65 35.000 34.405 0.595 1
1 722 . 18 1 1 A 65 65 GLU N N 65 121.300 119.217 2.083 1
1 723 . 18 1 1 A 66 66 VAL H H 66 8.780 9.005 -0.225 1
1 724 . 18 1 1 A 66 66 VAL HA H 66 4.600 4.953 -0.353 1
1 732 . 18 1 1 A 66 66 VAL C C 66 175.900 174.938 0.962 1
1 733 . 18 1 1 A 66 66 VAL CA C 66 60.800 59.857 0.943 1
1 734 . 18 1 1 A 66 66 VAL CB C 66 33.800 34.568 -0.768 1
1 737 . 18 1 1 A 66 66 VAL N N 66 126.000 121.516 4.484 1
1 738 . 18 1 1 A 67 67 ALA H H 67 8.400 8.763 -0.363 1
1 739 . 18 1 1 A 67 67 ALA HA H 67 4.390 4.707 -0.317 1
1 743 . 18 1 1 A 67 67 ALA CA C 67 51.100 51.077 0.023 1
1 744 . 18 1 1 A 67 67 ALA CB C 67 16.800 18.667 -1.867 1
1 745 . 18 1 1 A 67 67 ALA N N 67 132.400 131.161 1.239 1
1 746 . 18 1 1 A 68 68 PRO HA H 68 4.260 4.562 -0.302 1
1 753 . 18 1 1 A 68 68 PRO C C 68 176.400 175.993 0.407 1
1 754 . 18 1 1 A 68 68 PRO CA C 68 63.800 63.150 0.650 1
1 755 . 18 1 1 A 68 68 PRO CB C 68 31.800 32.338 -0.538 1
1 758 . 18 1 1 A 69 69 VAL H H 69 8.240 8.448 -0.208 1
1 759 . 18 1 1 A 69 69 VAL HA H 69 4.360 4.619 -0.259 1
1 767 . 18 1 1 A 69 69 VAL C C 69 175.500 175.370 0.130 1
1 768 . 18 1 1 A 69 69 VAL CA C 69 60.500 60.642 -0.142 1
1 769 . 18 1 1 A 69 69 VAL CB C 69 34.200 35.423 -1.223 1
1 772 . 18 1 1 A 69 69 VAL N N 69 121.600 122.560 -0.960 1
1 773 . 18 1 1 A 70 70 ALA H H 70 8.630 8.591 0.039 1
1 774 . 18 1 1 A 70 70 ALA HA H 70 4.370 4.615 -0.245 1
1 778 . 18 1 1 A 70 70 ALA C C 70 178.100 177.887 0.213 1
1 779 . 18 1 1 A 70 70 ALA CA C 70 51.700 51.528 0.172 1
1 780 . 18 1 1 A 70 70 ALA CB C 70 19.700 20.478 -0.778 1
1 781 . 18 1 1 A 70 70 ALA N N 70 128.800 128.901 -0.101 1
1 782 . 18 1 1 A 71 71 ASP H H 71 8.640 8.882 -0.242 1
1 783 . 18 1 1 A 71 71 ASP HA H 71 4.330 4.319 0.011 1
1 786 . 18 1 1 A 71 71 ASP C C 71 177.000 177.693 -0.693 1
1 787 . 18 1 1 A 71 71 ASP CA C 71 57.300 57.702 -0.402 1
1 788 . 18 1 1 A 71 71 ASP CB C 71 40.300 40.802 -0.502 1
1 789 . 18 1 1 A 71 71 ASP N N 71 118.900 120.187 -1.287 1
1 790 . 18 1 1 A 72 72 ASN H H 72 8.100 7.737 0.363 1
1 791 . 18 1 1 A 72 72 ASN HA H 72 4.810 4.958 -0.148 1
1 796 . 18 1 1 A 72 72 ASN C C 72 175.300 174.927 0.373 1
1 797 . 18 1 1 A 72 72 ASN CA C 72 51.900 52.973 -1.073 1
1 798 . 18 1 1 A 72 72 ASN CB C 72 37.400 38.892 -1.492 1
1 800 . 18 1 1 A 72 72 ASN N N 72 114.800 114.424 0.376 1
1 802 . 18 1 1 A 73 73 ALA H H 73 7.580 7.194 0.386 1
1 803 . 18 1 1 A 73 73 ALA HA H 73 4.230 4.189 0.041 1
1 807 . 18 1 1 A 73 73 ALA C C 73 176.300 178.555 -2.255 1
1 808 . 18 1 1 A 73 73 ALA CA C 73 53.200 53.241 -0.041 1
1 809 . 18 1 1 A 73 73 ALA CB C 73 21.000 19.192 1.808 1
1 810 . 18 1 1 A 73 73 ALA N N 73 123.400 123.172 0.228 1
1 811 . 18 1 1 A 74 74 THR H H 74 8.220 8.877 -0.657 1
1 812 . 18 1 1 A 74 74 THR HA H 74 4.560 4.844 -0.284 1
1 817 . 18 1 1 A 74 74 THR C C 74 174.100 173.575 0.525 1
1 818 . 18 1 1 A 74 74 THR CA C 74 60.200 61.729 -1.529 1
1 819 . 18 1 1 A 74 74 THR CB C 74 69.900 69.663 0.237 1
1 821 . 18 1 1 A 74 74 THR N N 74 104.600 112.623 -8.023 1
1 822 . 18 1 1 A 75 75 GLU H H 75 7.310 8.011 -0.701 1
1 823 . 18 1 1 A 75 75 GLU HA H 75 5.190 4.893 0.297 1
1 828 . 18 1 1 A 75 75 GLU C C 75 173.600 173.862 -0.262 1
1 829 . 18 1 1 A 75 75 GLU CA C 75 54.100 54.874 -0.774 1
1 830 . 18 1 1 A 75 75 GLU CB C 75 34.100 33.028 1.072 1
1 832 . 18 1 1 A 75 75 GLU N N 75 119.100 119.513 -0.413 1
1 833 . 18 1 1 A 76 76 LEU H H 76 8.400 8.702 -0.302 1
1 834 . 18 1 1 A 76 76 LEU HA H 76 4.650 5.177 -0.527 1
1 844 . 18 1 1 A 76 76 LEU C C 76 174.100 173.988 0.112 1
1 845 . 18 1 1 A 76 76 LEU CA C 76 54.200 53.523 0.677 1
1 846 . 18 1 1 A 76 76 LEU CB C 76 47.400 46.009 1.391 1
1 850 . 18 1 1 A 76 76 LEU N N 76 122.600 123.511 -0.911 1
1 851 . 18 1 1 A 77 77 HIS H H 77 9.340 8.843 0.497 1
1 852 . 18 1 1 A 77 77 HIS HA H 77 5.440 5.395 0.045 1
1 855 . 18 1 1 A 77 77 HIS C C 77 172.700 173.613 -0.913 1
1 856 . 18 1 1 A 77 77 HIS CA C 77 54.400 53.546 0.854 1
1 857 . 18 1 1 A 77 77 HIS CB C 77 31.700 32.220 -0.520 1
1 858 . 18 1 1 A 77 77 HIS N N 77 123.500 126.363 -2.863 1
1 859 . 18 1 1 A 78 78 ALA H H 78 9.190 8.489 0.701 1
1 860 . 18 1 1 A 78 78 ALA HA H 78 5.620 5.067 0.553 1
1 864 . 18 1 1 A 78 78 ALA C C 78 175.600 175.088 0.512 1
1 865 . 18 1 1 A 78 78 ALA CA C 78 50.300 50.647 -0.347 1
1 866 . 18 1 1 A 78 78 ALA CB C 78 24.100 24.161 -0.061 1
1 867 . 18 1 1 A 78 78 ALA N N 78 124.800 129.266 -4.466 1
1 868 . 18 1 1 A 79 79 ARG H H 79 8.680 8.851 -0.171 1
1 869 . 18 1 1 A 79 79 ARG HA H 79 5.230 5.221 0.009 1
1 874 . 18 1 1 A 79 79 ARG C C 79 173.900 174.517 -0.617 1
1 875 . 18 1 1 A 79 79 ARG CA C 79 55.300 54.369 0.931 1
1 876 . 18 1 1 A 79 79 ARG CB C 79 34.400 33.865 0.535 1
1 879 . 18 1 1 A 79 79 ARG N N 79 119.100 121.242 -2.142 1
1 880 . 18 1 1 A 80 80 PHE H H 80 8.970 9.030 -0.060 1
1 881 . 18 1 1 A 80 80 PHE HA H 80 4.720 4.947 -0.227 1
1 889 . 18 1 1 A 80 80 PHE C C 80 172.700 173.910 -1.210 1
1 890 . 18 1 1 A 80 80 PHE CA C 80 56.300 56.239 0.061 1
1 891 . 18 1 1 A 80 80 PHE CB C 80 42.600 42.959 -0.359 1
1 897 . 18 1 1 A 80 80 PHE N N 80 119.200 123.955 -4.755 1
1 898 . 18 1 1 A 81 81 LYS H H 81 9.350 8.566 0.784 1
1 899 . 18 1 1 A 81 81 LYS HA H 81 4.800 4.860 -0.060 1
1 908 . 18 1 1 A 81 81 LYS C C 81 174.500 174.536 -0.036 1
1 909 . 18 1 1 A 81 81 LYS CA C 81 55.600 54.613 0.987 1
1 910 . 18 1 1 A 81 81 LYS CB C 81 35.200 35.220 -0.020 1
1 914 . 18 1 1 A 81 81 LYS N N 81 124.500 123.082 1.418 1
1 915 . 18 1 1 A 82 82 PHE H H 82 8.840 8.535 0.305 1
1 916 . 18 1 1 A 82 82 PHE HA H 82 4.550 4.480 0.070 1
1 924 . 18 1 1 A 82 82 PHE C C 82 173.200 175.709 -2.509 1
1 925 . 18 1 1 A 82 82 PHE CA C 82 57.800 55.988 1.812 1
1 926 . 18 1 1 A 82 82 PHE CB C 82 40.100 42.608 -2.508 1
1 932 . 18 1 1 A 82 82 PHE N N 82 127.900 124.760 3.140 1
1 933 . 18 1 1 A 83 83 GLU H H 83 7.590 8.579 -0.989 1
1 934 . 18 1 1 A 83 83 GLU HA H 83 4.120 4.133 -0.013 1
1 939 . 18 1 1 A 83 83 GLU C C 83 177.500 176.364 1.136 1
1 940 . 18 1 1 A 83 83 GLU CA C 83 58.900 58.770 0.130 1
1 941 . 18 1 1 A 83 83 GLU CB C 83 29.900 30.345 -0.445 1
1 943 . 18 1 1 A 83 83 GLU N N 83 119.400 123.006 -3.606 1
1 944 . 18 1 1 A 84 84 VAL H H 84 7.470 7.685 -0.215 1
1 945 . 18 1 1 A 84 84 VAL HA H 84 4.770 4.563 0.207 1
1 953 . 18 1 1 A 84 84 VAL C C 84 177.100 175.794 1.306 1
1 954 . 18 1 1 A 84 84 VAL CA C 84 58.500 58.844 -0.344 1
1 955 . 18 1 1 A 84 84 VAL CB C 84 36.000 35.270 0.730 1
1 958 . 18 1 1 A 84 84 VAL N N 84 108.000 114.100 -6.100 1
1 959 . 18 1 1 A 85 85 SER H H 85 8.980 8.738 0.242 1
1 960 . 18 1 1 A 85 85 SER HA H 85 4.160 4.268 -0.108 1
1 963 . 18 1 1 A 85 85 SER C C 85 176.900 176.797 0.103 1
1 964 . 18 1 1 A 85 85 SER CA C 85 61.200 60.937 0.263 1
1 965 . 18 1 1 A 85 85 SER CB C 85 62.600 63.233 -0.633 1
1 966 . 18 1 1 A 85 85 SER N N 85 120.300 118.259 2.041 1
1 967 . 18 1 1 A 86 86 ALA H H 86 8.370 8.214 0.156 1
1 968 . 18 1 1 A 86 86 ALA HA H 86 4.000 3.920 0.080 1
1 972 . 18 1 1 A 86 86 ALA C C 86 180.500 179.536 0.964 1
1 973 . 18 1 1 A 86 86 ALA CA C 86 55.600 55.405 0.195 1
1 974 . 18 1 1 A 86 86 ALA CB C 86 18.500 18.068 0.432 1
1 975 . 18 1 1 A 86 86 ALA N N 86 121.800 125.288 -3.488 1
1 976 . 18 1 1 A 87 87 GLU H H 87 6.920 7.872 -0.952 1
1 977 . 18 1 1 A 87 87 GLU HA H 87 3.640 3.935 -0.295 1
1 982 . 18 1 1 A 87 87 GLU C C 87 176.700 178.825 -2.125 1
1 983 . 18 1 1 A 87 87 GLU CA C 87 58.000 58.989 -0.989 1
1 984 . 18 1 1 A 87 87 GLU CB C 87 29.300 29.135 0.165 1
1 986 . 18 1 1 A 87 87 GLU N N 87 114.800 117.938 -3.138 1
1 987 . 18 1 1 A 88 88 LYS H H 88 6.520 7.650 -1.130 1
1 988 . 18 1 1 A 88 88 LYS HA H 88 3.140 3.635 -0.495 1
1 997 . 18 1 1 A 88 88 LYS C C 88 178.100 178.684 -0.584 1
1 998 . 18 1 1 A 88 88 LYS CA C 88 59.700 59.028 0.672 1
1 999 . 18 1 1 A 88 88 LYS CB C 88 32.300 32.014 0.286 1
1 1003 . 18 1 1 A 88 88 LYS N N 88 119.900 121.239 -1.339 1
1 1004 . 18 1 1 A 89 89 LEU H H 89 7.920 7.604 0.316 1
1 1005 . 18 1 1 A 89 89 LEU HA H 89 4.080 3.978 0.102 1
1 1015 . 18 1 1 A 89 89 LEU C C 89 179.900 178.091 1.809 1
1 1016 . 18 1 1 A 89 89 LEU CA C 89 58.000 58.121 -0.121 1
1 1017 . 18 1 1 A 89 89 LEU CB C 89 41.500 41.612 -0.112 1
1 1021 . 18 1 1 A 89 89 LEU N N 89 118.200 120.494 -2.294 1
1 1022 . 18 1 1 A 90 90 ILE H H 90 7.570 7.727 -0.157 1
1 1023 . 18 1 1 A 90 90 ILE HA H 90 3.710 3.559 0.151 1
1 1033 . 18 1 1 A 90 90 ILE C C 90 178.000 178.161 -0.161 1
1 1034 . 18 1 1 A 90 90 ILE CA C 90 64.700 65.018 -0.318 1
1 1035 . 18 1 1 A 90 90 ILE CB C 90 37.600 37.690 -0.090 1
1 1039 . 18 1 1 A 90 90 ILE N N 90 120.400 119.541 0.859 1
1 1040 . 18 1 1 A 91 91 PHE H H 91 8.180 8.855 -0.675 1
1 1041 . 18 1 1 A 91 91 PHE HA H 91 3.920 3.887 0.033 1
1 1049 . 18 1 1 A 91 91 PHE C C 91 177.200 177.377 -0.177 1
1 1050 . 18 1 1 A 91 91 PHE CA C 91 61.600 61.385 0.215 1
1 1051 . 18 1 1 A 91 91 PHE CB C 91 39.600 39.154 0.446 1
1 1057 . 18 1 1 A 91 91 PHE N N 91 120.100 120.010 0.090 1
1 1058 . 18 1 1 A 92 92 GLU H H 92 8.470 8.521 -0.051 1
1 1059 . 18 1 1 A 92 92 GLU HA H 92 3.620 4.074 -0.454 1
1 1064 . 18 1 1 A 92 92 GLU C C 92 179.100 178.484 0.616 1
1 1065 . 18 1 1 A 92 92 GLU CA C 92 60.100 59.029 1.071 1
1 1066 . 18 1 1 A 92 92 GLU CB C 92 29.300 29.599 -0.299 1
1 1068 . 18 1 1 A 92 92 GLU N N 92 118.800 119.590 -0.790 1
1 1069 . 18 1 1 A 93 93 LEU H H 93 7.980 8.118 -0.138 1
1 1070 . 18 1 1 A 93 93 LEU HA H 93 4.000 4.006 -0.006 1
1 1080 . 18 1 1 A 93 93 LEU C C 93 180.600 178.458 2.142 1
1 1081 . 18 1 1 A 93 93 LEU CA C 93 58.300 57.815 0.485 1
1 1082 . 18 1 1 A 93 93 LEU CB C 93 41.700 41.788 -0.088 1
1 1086 . 18 1 1 A 93 93 LEU N N 93 120.800 121.137 -0.337 1
1 1087 . 18 1 1 A 94 94 LYS H H 94 8.340 7.670 0.670 1
1 1088 . 18 1 1 A 94 94 LYS HA H 94 3.990 3.806 0.184 1
1 1097 . 18 1 1 A 94 94 LYS C C 94 179.600 179.110 0.490 1
1 1098 . 18 1 1 A 94 94 LYS CA C 94 59.200 59.206 -0.006 1
1 1099 . 18 1 1 A 94 94 LYS CB C 94 33.100 32.046 1.054 1
1 1103 . 18 1 1 A 94 94 LYS N N 94 119.300 118.767 0.533 1
1 1104 . 18 1 1 A 95 95 THR H H 95 8.100 7.557 0.543 1
1 1105 . 18 1 1 A 95 95 THR HA H 95 3.640 3.415 0.225 1
1 1110 . 18 1 1 A 95 95 THR C C 95 176.800 176.727 0.073 1
1 1111 . 18 1 1 A 95 95 THR CA C 95 63.800 65.424 -1.624 1
1 1112 . 18 1 1 A 95 95 THR CB C 95 68.900 68.115 0.785 1
1 1114 . 18 1 1 A 95 95 THR N N 95 109.700 112.391 -2.691 1
1 1115 . 18 1 1 A 96 96 ARG H H 96 7.570 8.113 -0.543 1
1 1116 . 18 1 1 A 96 96 ARG HA H 96 4.060 3.989 0.071 1
1 1124 . 18 1 1 A 96 96 ARG C C 96 178.300 178.730 -0.430 1
1 1125 . 18 1 1 A 96 96 ARG CA C 96 59.500 60.093 -0.593 1
1 1126 . 18 1 1 A 96 96 ARG CB C 96 29.800 29.672 0.128 1
1 1130 . 18 1 1 A 96 96 ARG N N 96 123.200 121.659 1.541 1
1 1132 . 18 1 1 A 97 97 ALA H H 97 7.520 7.828 -0.308 1
1 1133 . 18 1 1 A 97 97 ALA HA H 97 4.130 4.077 0.053 1
1 1137 . 18 1 1 A 97 97 ALA C C 97 179.500 180.290 -0.790 1
1 1138 . 18 1 1 A 97 97 ALA CA C 97 54.100 55.160 -1.060 1
1 1139 . 18 1 1 A 97 97 ALA CB C 97 18.200 18.368 -0.168 1
1 1140 . 18 1 1 A 97 97 ALA N N 97 119.700 121.712 -2.012 1
1 1141 . 18 1 1 A 98 98 LEU H H 98 7.370 7.858 -0.488 1
1 1142 . 18 1 1 A 98 98 LEU HA H 98 4.070 3.924 0.146 1
1 1152 . 18 1 1 A 98 98 LEU C C 98 178.800 178.777 0.023 1
1 1153 . 18 1 1 A 98 98 LEU CA C 98 56.500 57.734 -1.234 1
1 1154 . 18 1 1 A 98 98 LEU CB C 98 41.700 41.536 0.164 1
1 1158 . 18 1 1 A 98 98 LEU N N 98 118.300 118.400 -0.100 1
1 1159 . 18 1 1 A 99 99 ALA H H 99 7.940 8.155 -0.215 1
1 1160 . 18 1 1 A 99 99 ALA HA H 99 4.250 4.091 0.159 1
1 1164 . 18 1 1 A 99 99 ALA C C 99 179.100 179.103 -0.003 1
1 1165 . 18 1 1 A 99 99 ALA CA C 99 53.600 55.021 -1.421 1
1 1166 . 18 1 1 A 99 99 ALA CB C 99 18.600 18.373 0.227 1
1 1167 . 18 1 1 A 99 99 ALA N N 99 122.100 122.041 0.059 1
1 1168 . 18 1 1 A 100 100 ARG H H 100 7.840 8.018 -0.178 1
1 1169 . 18 1 1 A 100 100 ARG HA H 100 4.210 4.423 -0.213 1
1 1176 . 18 1 1 A 100 100 ARG C C 100 177.100 176.534 0.566 1
1 1177 . 18 1 1 A 100 100 ARG CA C 100 57.100 55.556 1.544 1
1 1178 . 18 1 1 A 100 100 ARG CB C 100 30.300 30.123 0.177 1
1 1181 . 18 1 1 A 100 100 ARG N N 100 117.900 114.786 3.114 1
1 1182 . 18 1 1 A 101 101 LEU H H 101 7.890 7.949 -0.059 1
1 1183 . 18 1 1 A 101 101 LEU HA H 101 4.240 4.242 -0.002 1
1 1193 . 18 1 1 A 101 101 LEU C C 101 177.800 175.573 2.227 1
1 1194 . 18 1 1 A 101 101 LEU CA C 101 55.700 56.965 -1.265 1
1 1195 . 18 1 1 A 101 101 LEU CB C 101 41.900 40.937 0.963 1
1 1199 . 18 1 1 A 101 101 LEU N N 101 120.800 118.701 2.099 1
1 1200 . 18 1 1 A 102 102 GLU H H 102 8.040 8.521 -0.481 1
1 1201 . 18 1 1 A 102 102 GLU HA H 102 4.240 4.956 -0.716 1
1 1206 . 18 1 1 A 102 102 GLU C C 102 176.500 174.365 2.135 1
1 1207 . 18 1 1 A 102 102 GLU CA C 102 56.600 55.348 1.252 1
1 1208 . 18 1 1 A 102 102 GLU CB C 102 30.000 33.069 -3.069 1
1 1210 . 18 1 1 A 102 102 GLU N N 102 120.100 117.485 2.615 1
1 1211 . 18 1 1 A 103 103 HIS H H 103 8.200 8.839 -0.639 1
1 1212 . 18 1 1 A 103 103 HIS HA H 103 4.540 4.747 -0.207 1
1 1216 . 18 1 1 A 103 103 HIS CA C 103 56.100 57.363 -1.263 1
1 1217 . 18 1 1 A 103 103 HIS CB C 103 29.900 30.672 -0.772 1
1 1218 . 18 1 1 A 103 103 HIS N N 103 119.200 123.844 -4.644 1
1 1219 . 18 1 1 A 107 107 HIS HA H 107 4.560 4.136 0.424 1
1 1222 . 18 1 1 A 107 107 HIS C C 107 173.800 175.223 -1.423 1
1 1223 . 18 1 1 A 107 107 HIS CA C 107 55.800 56.664 -0.864 1
1 1224 . 18 1 1 A 107 107 HIS CB C 107 29.900 27.990 1.910 1
1 1 . 19 1 1 A 4 4 GLN HA H 4 4.360 4.308 0.052 1
1 7 . 19 1 1 A 4 4 GLN C C 4 176.100 175.927 0.173 1
1 8 . 19 1 1 A 4 4 GLN CA C 4 56.000 57.723 -1.723 1
1 9 . 19 1 1 A 4 4 GLN CB C 4 29.300 28.856 0.444 1
1 11 . 19 1 1 A 5 5 THR H H 5 8.280 7.689 0.591 1
1 12 . 19 1 1 A 5 5 THR HA H 5 4.320 4.457 -0.137 1
1 17 . 19 1 1 A 5 5 THR C C 5 174.300 174.408 -0.108 1
1 18 . 19 1 1 A 5 5 THR CA C 5 62.200 60.733 1.467 1
1 19 . 19 1 1 A 5 5 THR CB C 5 69.600 70.529 -0.929 1
1 21 . 19 1 1 A 5 5 THR N N 5 115.700 110.879 4.821 1
1 22 . 19 1 1 A 6 6 CYS H H 6 8.410 8.571 -0.161 1
1 23 . 19 1 1 A 6 6 CYS HA H 6 4.540 4.597 -0.057 1
1 26 . 19 1 1 A 6 6 CYS C C 6 174.400 175.898 -1.498 1
1 27 . 19 1 1 A 6 6 CYS CA C 6 58.200 58.590 -0.390 1
1 28 . 19 1 1 A 6 6 CYS CB C 6 27.800 27.974 -0.174 1
1 29 . 19 1 1 A 6 6 CYS N N 6 121.900 122.481 -0.581 1
1 30 . 19 1 1 A 7 7 VAL H H 7 8.290 8.475 -0.185 1
1 31 . 19 1 1 A 7 7 VAL HA H 7 4.090 3.798 0.292 1
1 39 . 19 1 1 A 7 7 VAL C C 7 176.100 176.793 -0.693 1
1 40 . 19 1 1 A 7 7 VAL CA C 7 62.400 66.450 -4.050 1
1 41 . 19 1 1 A 7 7 VAL CB C 7 32.500 32.072 0.428 1
1 44 . 19 1 1 A 7 7 VAL N N 7 122.700 128.515 -5.815 1
1 45 . 19 1 1 A 8 8 GLU H H 8 8.510 7.719 0.791 1
1 46 . 19 1 1 A 8 8 GLU HA H 8 4.240 4.359 -0.119 1
1 51 . 19 1 1 A 8 8 GLU C C 8 176.100 177.227 -1.127 1
1 52 . 19 1 1 A 8 8 GLU CA C 8 56.900 56.408 0.492 1
1 53 . 19 1 1 A 8 8 GLU CB C 8 30.100 29.979 0.121 1
1 55 . 19 1 1 A 8 8 GLU N N 8 124.300 120.469 3.831 1
1 56 . 19 1 1 A 9 9 ASN H H 9 8.390 8.731 -0.341 1
1 57 . 19 1 1 A 9 9 ASN HA H 9 4.650 4.715 -0.065 1
1 62 . 19 1 1 A 9 9 ASN C C 9 174.900 174.627 0.273 1
1 63 . 19 1 1 A 9 9 ASN CA C 9 53.400 53.170 0.230 1
1 64 . 19 1 1 A 9 9 ASN CB C 9 39.000 38.422 0.578 1
1 66 . 19 1 1 A 9 9 ASN N N 9 119.300 119.212 0.088 1
1 68 . 19 1 1 A 10 10 GLU H H 10 8.330 7.777 0.553 1
1 69 . 19 1 1 A 10 10 GLU HA H 10 4.250 4.572 -0.322 1
1 74 . 19 1 1 A 10 10 GLU C C 10 176.400 175.916 0.484 1
1 75 . 19 1 1 A 10 10 GLU CA C 10 56.800 56.034 0.766 1
1 76 . 19 1 1 A 10 10 GLU CB C 10 30.200 30.192 0.008 1
1 78 . 19 1 1 A 10 10 GLU N N 10 121.400 121.795 -0.395 1
1 79 . 19 1 1 A 11 11 VAL H H 11 8.250 8.582 -0.332 1
1 80 . 19 1 1 A 11 11 VAL HA H 11 4.090 4.311 -0.221 1
1 88 . 19 1 1 A 11 11 VAL C C 11 176.100 175.232 0.868 1
1 89 . 19 1 1 A 11 11 VAL CA C 11 62.400 62.466 -0.066 1
1 90 . 19 1 1 A 11 11 VAL CB C 11 32.500 35.334 -2.834 1
1 93 . 19 1 1 A 11 11 VAL N N 11 121.900 127.539 -5.639 1
1 94 . 19 1 1 A 12 12 CYS H H 12 8.450 7.746 0.704 1
1 95 . 19 1 1 A 12 12 CYS HA H 12 4.500 4.675 -0.175 1
1 98 . 19 1 1 A 12 12 CYS C C 12 174.400 174.588 -0.188 1
1 99 . 19 1 1 A 12 12 CYS CA C 12 58.300 57.672 0.628 1
1 100 . 19 1 1 A 12 12 CYS CB C 12 28.000 28.256 -0.256 1
1 101 . 19 1 1 A 12 12 CYS N N 12 123.800 121.410 2.390 1
1 102 . 19 1 1 A 13 13 GLU H H 13 8.560 8.539 0.021 1
1 103 . 19 1 1 A 13 13 GLU HA H 13 4.260 4.562 -0.302 1
1 108 . 19 1 1 A 13 13 GLU C C 13 176.100 175.120 0.980 1
1 109 . 19 1 1 A 13 13 GLU CA C 13 56.700 57.722 -1.022 1
1 110 . 19 1 1 A 13 13 GLU CB C 13 30.200 32.529 -2.329 1
1 112 . 19 1 1 A 13 13 GLU N N 13 124.100 126.459 -2.359 1
1 113 . 19 1 1 A 14 14 ALA H H 14 8.400 7.593 0.807 1
1 114 . 19 1 1 A 14 14 ALA HA H 14 4.350 4.554 -0.204 1
1 118 . 19 1 1 A 14 14 ALA C C 14 177.700 176.851 0.849 1
1 119 . 19 1 1 A 14 14 ALA CA C 14 52.600 51.704 0.896 1
1 120 . 19 1 1 A 14 14 ALA CB C 14 19.100 21.310 -2.210 1
1 121 . 19 1 1 A 14 14 ALA N N 14 125.400 118.706 6.694 1
1 122 . 19 1 1 A 15 15 CYS H H 15 8.370 9.146 -0.776 1
1 123 . 19 1 1 A 15 15 CYS HA H 15 4.490 4.038 0.452 1
1 126 . 19 1 1 A 15 15 CYS C C 15 175.100 174.879 0.221 1
1 127 . 19 1 1 A 15 15 CYS CA C 15 58.400 61.395 -2.995 1
1 128 . 19 1 1 A 15 15 CYS CB C 15 28.000 26.360 1.640 1
1 129 . 19 1 1 A 15 15 CYS N N 15 118.500 120.980 -2.480 1
1 130 . 19 1 1 A 16 16 GLY H H 16 8.480 7.885 0.595 1
1 131 . 19 1 1 A 16 16 GLY HA2 H 16 3.970 3.899 0.071 1
1 132 . 19 1 1 A 16 16 GLY HA3 H 16 3.970 3.899 0.071 1
1 133 . 19 1 1 A 16 16 GLY C C 16 174.100 175.416 -1.316 1
1 134 . 19 1 1 A 16 16 GLY CA C 16 45.400 45.982 -0.582 1
1 135 . 19 1 1 A 16 16 GLY N N 16 111.300 107.096 4.204 1
1 136 . 19 1 1 A 17 17 CYS H H 17 8.300 8.063 0.237 1
1 137 . 19 1 1 A 17 17 CYS HA H 17 4.500 4.098 0.402 1
1 140 . 19 1 1 A 17 17 CYS C C 17 174.500 175.152 -0.652 1
1 141 . 19 1 1 A 17 17 CYS CA C 17 58.300 61.757 -3.457 1
1 142 . 19 1 1 A 17 17 CYS CB C 17 28.100 28.157 -0.057 1
1 143 . 19 1 1 A 17 17 CYS N N 17 118.900 119.403 -0.503 1
1 144 . 19 1 1 A 18 18 ALA H H 18 8.520 7.920 0.600 1
1 145 . 19 1 1 A 18 18 ALA HA H 18 4.260 3.964 0.296 1
1 149 . 19 1 1 A 18 18 ALA C C 18 178.000 176.255 1.745 1
1 150 . 19 1 1 A 18 18 ALA CA C 18 52.900 53.500 -0.600 1
1 151 . 19 1 1 A 18 18 ALA CB C 18 19.000 18.054 0.946 1
1 152 . 19 1 1 A 18 18 ALA N N 18 126.800 121.291 5.509 1
1 153 . 19 1 1 A 19 19 GLY H H 19 8.310 7.623 0.687 1
1 154 . 19 1 1 A 19 19 GLY HA2 H 19 3.890 4.088 -0.198 1
1 155 . 19 1 1 A 19 19 GLY HA3 H 19 3.890 4.089 -0.199 1
1 156 . 19 1 1 A 19 19 GLY C C 19 174.000 173.796 0.204 1
1 157 . 19 1 1 A 19 19 GLY CA C 19 45.000 45.916 -0.916 1
1 158 . 19 1 1 A 19 19 GLY N N 19 108.100 104.996 3.104 1
1 159 . 19 1 1 A 20 20 GLU H H 20 8.180 9.101 -0.921 1
1 160 . 19 1 1 A 20 20 GLU HA H 20 4.270 3.980 0.290 1
1 165 . 19 1 1 A 20 20 GLU C C 20 176.400 176.078 0.322 1
1 166 . 19 1 1 A 20 20 GLU CA C 20 56.200 57.102 -0.902 1
1 167 . 19 1 1 A 20 20 GLU CB C 20 30.100 28.275 1.825 1
1 169 . 19 1 1 A 20 20 GLU N N 20 120.500 122.481 -1.981 1
1 170 . 19 1 1 A 21 21 ILE H H 21 8.160 8.338 -0.178 1
1 171 . 19 1 1 A 21 21 ILE HA H 21 4.020 4.596 -0.576 1
1 181 . 19 1 1 A 21 21 ILE C C 21 176.400 175.056 1.344 1
1 182 . 19 1 1 A 21 21 ILE CA C 21 61.200 60.694 0.506 1
1 183 . 19 1 1 A 21 21 ILE CB C 21 38.200 39.087 -0.887 1
1 187 . 19 1 1 A 21 21 ILE N N 21 122.000 127.775 -5.775 1
1 188 . 19 1 1 A 22 22 GLY H H 22 8.260 8.050 0.210 1
1 189 . 19 1 1 A 22 22 GLY HA2 H 22 3.740 4.136 -0.396 1
1 190 . 19 1 1 A 22 22 GLY HA3 H 22 3.880 4.176 -0.296 1
1 191 . 19 1 1 A 22 22 GLY C C 22 173.200 171.203 1.997 1
1 192 . 19 1 1 A 22 22 GLY CA C 22 45.100 46.000 -0.900 1
1 193 . 19 1 1 A 22 22 GLY N N 22 112.500 114.466 -1.966 1
1 194 . 19 1 1 A 23 23 PHE H H 23 7.890 8.562 -0.672 1
1 195 . 19 1 1 A 23 23 PHE HA H 23 4.550 4.979 -0.429 1
1 202 . 19 1 1 A 23 23 PHE CA C 23 58.100 56.977 1.123 1
1 203 . 19 1 1 A 23 23 PHE CB C 23 41.200 41.582 -0.382 1
1 206 . 19 1 1 A 23 23 PHE N N 23 119.700 118.913 0.787 1
1 207 . 19 1 1 A 24 24 ILE HA H 24 3.970 3.757 0.213 1
1 217 . 19 1 1 A 24 24 ILE CA C 24 62.400 64.810 -2.410 1
1 218 . 19 1 1 A 24 24 ILE CB C 24 37.700 37.707 -0.007 1
1 222 . 19 1 1 A 25 25 ILE H H 25 8.950 7.972 0.978 1
1 223 . 19 1 1 A 25 25 ILE HA H 25 3.740 4.034 -0.294 1
1 233 . 19 1 1 A 25 25 ILE C C 25 175.200 176.279 -1.079 1
1 234 . 19 1 1 A 25 25 ILE CA C 25 62.700 63.557 -0.857 1
1 235 . 19 1 1 A 25 25 ILE CB C 25 38.200 38.041 0.159 1
1 239 . 19 1 1 A 25 25 ILE N N 25 124.800 119.384 5.416 1
1 240 . 19 1 1 A 26 26 ARG H H 26 8.040 8.078 -0.038 1
1 241 . 19 1 1 A 26 26 ARG HA H 26 4.140 3.842 0.298 1
1 248 . 19 1 1 A 26 26 ARG C C 26 175.900 174.875 1.025 1
1 249 . 19 1 1 A 26 26 ARG CA C 26 55.300 56.943 -1.643 1
1 250 . 19 1 1 A 26 26 ARG CB C 26 31.100 28.717 2.383 1
1 253 . 19 1 1 A 26 26 ARG N N 26 128.100 122.231 5.869 1
1 254 . 19 1 1 A 27 27 GLU H H 27 8.560 7.836 0.724 1
1 255 . 19 1 1 A 27 27 GLU HA H 27 4.030 4.898 -0.868 1
1 260 . 19 1 1 A 27 27 GLU C C 27 176.300 175.460 0.840 1
1 261 . 19 1 1 A 27 27 GLU CA C 27 57.000 54.735 2.265 1
1 262 . 19 1 1 A 27 27 GLU CB C 27 30.000 32.468 -2.468 1
1 264 . 19 1 1 A 27 27 GLU N N 27 123.500 121.204 2.296 1
1 265 . 19 1 1 A 28 28 GLY H H 28 8.420 8.179 0.241 1
1 266 . 19 1 1 A 28 28 GLY HA2 H 28 4.050 4.127 -0.077 1
1 267 . 19 1 1 A 28 28 GLY HA3 H 28 4.220 4.139 0.081 1
1 268 . 19 1 1 A 28 28 GLY C C 28 174.000 174.357 -0.357 1
1 269 . 19 1 1 A 28 28 GLY CA C 28 45.400 45.767 -0.367 1
1 270 . 19 1 1 A 28 28 GLY N N 28 108.300 109.149 -0.849 1
1 271 . 19 1 1 A 29 29 ASP H H 29 8.690 8.176 0.514 1
1 272 . 19 1 1 A 29 29 ASP HA H 29 4.430 4.319 0.111 1
1 275 . 19 1 1 A 29 29 ASP C C 29 175.200 177.528 -2.328 1
1 276 . 19 1 1 A 29 29 ASP CA C 29 56.300 57.234 -0.934 1
1 277 . 19 1 1 A 29 29 ASP CB C 29 40.300 41.407 -1.107 1
1 278 . 19 1 1 A 29 29 ASP N N 29 119.800 122.020 -2.220 1
1 279 . 19 1 1 A 30 30 ASP H H 30 8.630 7.917 0.713 1
1 280 . 19 1 1 A 30 30 ASP HA H 30 4.260 4.779 -0.519 1
1 283 . 19 1 1 A 30 30 ASP C C 30 174.300 174.466 -0.166 1
1 284 . 19 1 1 A 30 30 ASP CA C 30 52.600 54.434 -1.834 1
1 285 . 19 1 1 A 30 30 ASP CB C 30 39.200 41.641 -2.441 1
1 286 . 19 1 1 A 30 30 ASP N N 30 114.900 116.233 -1.333 1
1 287 . 19 1 1 A 31 31 VAL H H 31 7.550 7.565 -0.015 1
1 288 . 19 1 1 A 31 31 VAL HA H 31 5.300 4.955 0.345 1
1 296 . 19 1 1 A 31 31 VAL C C 31 175.800 174.936 0.864 1
1 297 . 19 1 1 A 31 31 VAL CA C 31 60.700 60.508 0.192 1
1 298 . 19 1 1 A 31 31 VAL CB C 31 35.000 35.165 -0.165 1
1 301 . 19 1 1 A 31 31 VAL N N 31 120.500 119.712 0.788 1
1 302 . 19 1 1 A 32 32 ALA H H 32 9.580 9.154 0.426 1
1 303 . 19 1 1 A 32 32 ALA HA H 32 5.030 5.201 -0.171 1
1 307 . 19 1 1 A 32 32 ALA C C 32 175.800 176.414 -0.614 1
1 308 . 19 1 1 A 32 32 ALA CA C 32 50.000 50.227 -0.227 1
1 309 . 19 1 1 A 32 32 ALA CB C 32 22.800 22.579 0.221 1
1 310 . 19 1 1 A 32 32 ALA N N 32 130.500 129.567 0.933 1
1 311 . 19 1 1 A 33 33 GLU H H 33 9.270 8.718 0.552 1
1 312 . 19 1 1 A 33 33 GLU HA H 33 5.140 4.898 0.242 1
1 317 . 19 1 1 A 33 33 GLU C C 33 175.900 176.022 -0.122 1
1 318 . 19 1 1 A 33 33 GLU CA C 33 55.300 56.216 -0.916 1
1 319 . 19 1 1 A 33 33 GLU CB C 33 31.500 30.708 0.792 1
1 321 . 19 1 1 A 33 33 GLU N N 33 124.500 120.675 3.825 1
1 322 . 19 1 1 A 34 34 VAL H H 34 9.140 8.820 0.320 1
1 323 . 19 1 1 A 34 34 VAL HA H 34 4.580 5.036 -0.456 1
1 331 . 19 1 1 A 34 34 VAL C C 34 174.300 175.282 -0.982 1
1 332 . 19 1 1 A 34 34 VAL CA C 34 60.800 60.715 0.085 1
1 333 . 19 1 1 A 34 34 VAL CB C 34 35.700 34.897 0.803 1
1 336 . 19 1 1 A 34 34 VAL N N 34 124.700 125.735 -1.035 1
1 337 . 19 1 1 A 35 35 SER H H 35 8.450 9.107 -0.657 1
1 338 . 19 1 1 A 35 35 SER HA H 35 5.060 5.524 -0.464 1
1 341 . 19 1 1 A 35 35 SER C C 35 172.100 172.016 0.084 1
1 342 . 19 1 1 A 35 35 SER CA C 35 56.900 56.304 0.596 1
1 343 . 19 1 1 A 35 35 SER CB C 35 64.800 65.676 -0.876 1
1 344 . 19 1 1 A 35 35 SER N N 35 122.100 121.096 1.004 1
1 345 . 19 1 1 A 36 36 LEU H H 36 8.540 8.388 0.152 1
1 346 . 19 1 1 A 36 36 LEU HA H 36 4.570 5.042 -0.472 1
1 356 . 19 1 1 A 36 36 LEU C C 36 174.200 174.361 -0.161 1
1 357 . 19 1 1 A 36 36 LEU CA C 36 52.600 52.853 -0.253 1
1 358 . 19 1 1 A 36 36 LEU CB C 36 45.600 45.401 0.199 1
1 362 . 19 1 1 A 36 36 LEU N N 36 123.600 124.012 -0.412 1
1 363 . 19 1 1 A 37 37 PHE H H 37 8.400 8.931 -0.531 1
1 364 . 19 1 1 A 37 37 PHE HA H 37 5.300 5.279 0.021 1
1 369 . 19 1 1 A 37 37 PHE C C 37 175.600 176.039 -0.439 1
1 370 . 19 1 1 A 37 37 PHE CA C 37 56.300 55.887 0.413 1
1 371 . 19 1 1 A 37 37 PHE CB C 37 42.000 41.773 0.227 1
1 374 . 19 1 1 A 37 37 PHE N N 37 118.300 126.320 -8.020 1
1 375 . 19 1 1 A 38 38 GLY H H 38 8.340 8.238 0.102 1
1 376 . 19 1 1 A 38 38 GLY HA2 H 38 3.750 4.215 -0.465 1
1 377 . 19 1 1 A 38 38 GLY HA3 H 38 4.210 4.234 -0.024 1
1 378 . 19 1 1 A 38 38 GLY CA C 38 45.600 45.917 -0.317 1
1 379 . 19 1 1 A 38 38 GLY N N 38 109.300 109.850 -0.550 1
1 380 . 19 1 1 A 39 39 SER HA H 39 4.210 4.405 -0.195 1
1 383 . 19 1 1 A 39 39 SER C C 39 173.700 173.314 0.386 1
1 384 . 19 1 1 A 39 39 SER CA C 39 60.100 59.727 0.373 1
1 385 . 19 1 1 A 39 39 SER CB C 39 63.900 62.938 0.962 1
1 386 . 19 1 1 A 40 40 ASP H H 40 7.670 8.431 -0.761 1
1 387 . 19 1 1 A 40 40 ASP HA H 40 4.810 4.814 -0.004 1
1 390 . 19 1 1 A 40 40 ASP C C 40 175.500 177.815 -2.315 1
1 391 . 19 1 1 A 40 40 ASP CA C 40 52.900 53.792 -0.892 1
1 392 . 19 1 1 A 40 40 ASP CB C 40 41.300 41.610 -0.310 1
1 393 . 19 1 1 A 40 40 ASP N N 40 115.800 122.199 -6.399 1
1 394 . 19 1 1 A 41 41 LYS H H 41 8.260 8.667 -0.407 1
1 395 . 19 1 1 A 41 41 LYS HA H 41 3.780 3.970 -0.190 1
1 404 . 19 1 1 A 41 41 LYS C C 41 177.100 177.993 -0.893 1
1 405 . 19 1 1 A 41 41 LYS CA C 41 60.500 58.836 1.664 1
1 406 . 19 1 1 A 41 41 LYS CB C 41 33.400 32.050 1.350 1
1 410 . 19 1 1 A 41 41 LYS N N 41 120.200 123.606 -3.406 1
1 411 . 19 1 1 A 42 42 ALA H H 42 8.420 7.986 0.434 1
1 412 . 19 1 1 A 42 42 ALA HA H 42 4.180 4.073 0.107 1
1 416 . 19 1 1 A 42 42 ALA C C 42 181.900 179.491 2.409 1
1 417 . 19 1 1 A 42 42 ALA CA C 42 55.400 54.837 0.563 1
1 418 . 19 1 1 A 42 42 ALA CB C 42 17.700 18.212 -0.512 1
1 419 . 19 1 1 A 42 42 ALA N N 42 120.700 121.896 -1.196 1
1 420 . 19 1 1 A 43 43 HIS H H 43 8.490 7.973 0.517 1
1 421 . 19 1 1 A 43 43 HIS HA H 43 4.330 4.302 0.028 1
1 424 . 19 1 1 A 43 43 HIS C C 43 178.800 177.964 0.836 1
1 425 . 19 1 1 A 43 43 HIS CA C 43 59.600 60.222 -0.622 1
1 426 . 19 1 1 A 43 43 HIS CB C 43 30.300 29.932 0.368 1
1 427 . 19 1 1 A 43 43 HIS N N 43 118.000 116.150 1.850 1
1 428 . 19 1 1 A 44 44 LEU H H 44 8.340 7.976 0.364 1
1 429 . 19 1 1 A 44 44 LEU HA H 44 3.750 3.769 -0.019 1
1 439 . 19 1 1 A 44 44 LEU C C 44 178.500 179.242 -0.742 1
1 440 . 19 1 1 A 44 44 LEU CA C 44 58.200 57.964 0.236 1
1 441 . 19 1 1 A 44 44 LEU CB C 44 42.100 41.457 0.643 1
1 445 . 19 1 1 A 44 44 LEU N N 44 121.500 119.678 1.822 1
1 446 . 19 1 1 A 45 45 GLU H H 45 8.880 8.079 0.801 1
1 447 . 19 1 1 A 45 45 GLU HA H 45 3.750 4.009 -0.259 1
1 452 . 19 1 1 A 45 45 GLU C C 45 180.200 179.813 0.387 1
1 453 . 19 1 1 A 45 45 GLU CA C 45 60.000 59.515 0.485 1
1 454 . 19 1 1 A 45 45 GLU CB C 45 29.000 29.183 -0.183 1
1 456 . 19 1 1 A 45 45 GLU N N 45 118.300 118.327 -0.027 1
1 457 . 19 1 1 A 46 46 GLY H H 46 7.970 8.117 -0.147 1
1 458 . 19 1 1 A 46 46 GLY HA2 H 46 3.920 3.714 0.206 1
1 459 . 19 1 1 A 46 46 GLY HA3 H 46 3.920 3.721 0.199 1
1 460 . 19 1 1 A 46 46 GLY C C 46 176.500 175.899 0.601 1
1 461 . 19 1 1 A 46 46 GLY CA C 46 46.900 47.250 -0.350 1
1 462 . 19 1 1 A 46 46 GLY N N 46 108.100 109.596 -1.496 1
1 463 . 19 1 1 A 47 47 LYS H H 47 7.690 7.887 -0.197 1
1 464 . 19 1 1 A 47 47 LYS HA H 47 4.320 4.159 0.161 1
1 473 . 19 1 1 A 47 47 LYS C C 47 179.400 179.323 0.077 1
1 474 . 19 1 1 A 47 47 LYS CA C 47 58.400 58.831 -0.431 1
1 475 . 19 1 1 A 47 47 LYS CB C 47 32.100 32.119 -0.019 1
1 479 . 19 1 1 A 47 47 LYS N N 47 122.400 122.465 -0.065 1
1 480 . 19 1 1 A 48 48 LEU H H 48 8.550 7.814 0.736 1
1 481 . 19 1 1 A 48 48 LEU HA H 48 3.980 3.888 0.092 1
1 491 . 19 1 1 A 48 48 LEU C C 48 178.300 178.334 -0.034 1
1 492 . 19 1 1 A 48 48 LEU CA C 48 57.900 57.515 0.385 1
1 493 . 19 1 1 A 48 48 LEU CB C 48 40.800 41.454 -0.654 1
1 497 . 19 1 1 A 48 48 LEU N N 48 120.600 121.778 -1.178 1
1 498 . 19 1 1 A 49 49 ALA H H 49 7.810 8.123 -0.313 1
1 499 . 19 1 1 A 49 49 ALA HA H 49 4.000 3.961 0.039 1
1 503 . 19 1 1 A 49 49 ALA C C 49 180.400 180.141 0.259 1
1 504 . 19 1 1 A 49 49 ALA CA C 49 55.600 55.388 0.212 1
1 505 . 19 1 1 A 49 49 ALA CB C 49 17.900 18.141 -0.241 1
1 506 . 19 1 1 A 49 49 ALA N N 49 120.000 120.691 -0.691 1
1 507 . 19 1 1 A 50 50 GLU H H 50 7.520 8.059 -0.539 1
1 508 . 19 1 1 A 50 50 GLU HA H 50 4.130 4.117 0.013 1
1 513 . 19 1 1 A 50 50 GLU C C 50 179.600 179.260 0.340 1
1 514 . 19 1 1 A 50 50 GLU CA C 50 59.200 58.950 0.250 1
1 515 . 19 1 1 A 50 50 GLU CB C 50 29.800 29.601 0.199 1
1 517 . 19 1 1 A 50 50 GLU N N 50 117.300 119.144 -1.844 1
1 518 . 19 1 1 A 51 51 TYR H H 51 7.860 7.980 -0.120 1
1 519 . 19 1 1 A 51 51 TYR HA H 51 3.900 4.391 -0.491 1
1 526 . 19 1 1 A 51 51 TYR C C 51 177.900 178.510 -0.610 1
1 527 . 19 1 1 A 51 51 TYR CA C 51 62.400 61.016 1.384 1
1 528 . 19 1 1 A 51 51 TYR CB C 51 38.200 38.086 0.114 1
1 533 . 19 1 1 A 51 51 TYR N N 51 120.300 119.678 0.622 1
1 534 . 19 1 1 A 52 52 ILE H H 52 8.590 8.132 0.458 1
1 535 . 19 1 1 A 52 52 ILE HA H 52 3.420 3.650 -0.230 1
1 545 . 19 1 1 A 52 52 ILE C C 52 177.400 178.174 -0.774 1
1 546 . 19 1 1 A 52 52 ILE CA C 52 66.200 65.322 0.878 1
1 547 . 19 1 1 A 52 52 ILE CB C 52 38.200 38.100 0.100 1
1 551 . 19 1 1 A 52 52 ILE N N 52 120.100 120.742 -0.642 1
1 552 . 19 1 1 A 53 53 SER H H 53 7.860 7.782 0.078 1
1 553 . 19 1 1 A 53 53 SER HA H 53 4.080 4.090 -0.010 1
1 556 . 19 1 1 A 53 53 SER C C 53 177.700 176.392 1.308 1
1 557 . 19 1 1 A 53 53 SER CA C 53 61.800 62.330 -0.530 1
1 558 . 19 1 1 A 53 53 SER CB C 53 62.600 62.994 -0.394 1
1 559 . 19 1 1 A 53 53 SER N N 53 113.100 116.438 -3.338 1
1 560 . 19 1 1 A 54 54 LEU H H 54 7.610 7.865 -0.255 1
1 561 . 19 1 1 A 54 54 LEU HA H 54 4.090 4.114 -0.024 1
1 571 . 19 1 1 A 54 54 LEU C C 54 178.600 179.180 -0.580 1
1 572 . 19 1 1 A 54 54 LEU CA C 54 58.000 57.684 0.316 1
1 573 . 19 1 1 A 54 54 LEU CB C 54 42.200 41.372 0.828 1
1 577 . 19 1 1 A 54 54 LEU N N 54 121.200 121.156 0.044 1
1 578 . 19 1 1 A 55 55 ALA H H 55 8.640 8.482 0.158 1
1 579 . 19 1 1 A 55 55 ALA HA H 55 3.860 4.078 -0.218 1
1 583 . 19 1 1 A 55 55 ALA C C 55 179.100 179.143 -0.043 1
1 584 . 19 1 1 A 55 55 ALA CA C 55 56.200 55.433 0.767 1
1 585 . 19 1 1 A 55 55 ALA CB C 55 19.000 18.058 0.942 1
1 586 . 19 1 1 A 55 55 ALA N N 55 121.900 121.952 -0.052 1
1 587 . 19 1 1 A 56 56 LYS H H 56 8.120 8.512 -0.392 1
1 588 . 19 1 1 A 56 56 LYS HA H 56 4.220 4.118 0.102 1
1 597 . 19 1 1 A 56 56 LYS C C 56 178.800 178.931 -0.131 1
1 598 . 19 1 1 A 56 56 LYS CA C 56 58.300 59.726 -1.426 1
1 599 . 19 1 1 A 56 56 LYS CB C 56 32.900 32.420 0.480 1
1 603 . 19 1 1 A 56 56 LYS N N 56 115.600 118.560 -2.960 1
1 604 . 19 1 1 A 57 57 GLN H H 57 7.590 7.591 -0.001 1
1 605 . 19 1 1 A 57 57 GLN HA H 57 4.010 4.042 -0.032 1
1 612 . 19 1 1 A 57 57 GLN C C 57 178.300 179.024 -0.724 1
1 613 . 19 1 1 A 57 57 GLN CA C 57 58.400 58.859 -0.459 1
1 614 . 19 1 1 A 57 57 GLN CB C 57 28.600 28.353 0.247 1
1 617 . 19 1 1 A 57 57 GLN N N 57 117.900 118.130 -0.230 1
1 619 . 19 1 1 A 58 58 VAL H H 58 7.650 7.707 -0.057 1
1 620 . 19 1 1 A 58 58 VAL HA H 58 3.750 3.880 -0.130 1
1 628 . 19 1 1 A 58 58 VAL C C 58 176.400 175.864 0.536 1
1 629 . 19 1 1 A 58 58 VAL CA C 58 65.500 66.052 -0.552 1
1 630 . 19 1 1 A 58 58 VAL CB C 58 32.000 32.365 -0.365 1
1 633 . 19 1 1 A 58 58 VAL N N 58 120.200 117.822 2.378 1
1 634 . 19 1 1 A 59 59 TYR H H 59 8.700 8.396 0.304 1
1 635 . 19 1 1 A 59 59 TYR HA H 59 5.040 4.895 0.145 1
1 642 . 19 1 1 A 59 59 TYR C C 59 174.100 176.444 -2.344 1
1 643 . 19 1 1 A 59 59 TYR CA C 59 55.500 57.043 -1.543 1
1 644 . 19 1 1 A 59 59 TYR CB C 59 40.500 41.513 -1.013 1
1 649 . 19 1 1 A 59 59 TYR N N 59 120.400 119.730 0.670 1
1 650 . 19 1 1 A 60 60 ALA H H 60 8.900 8.364 0.536 1
1 651 . 19 1 1 A 60 60 ALA HA H 60 4.230 3.878 0.352 1
1 655 . 19 1 1 A 60 60 ALA CA C 60 55.400 54.968 0.432 1
1 656 . 19 1 1 A 60 60 ALA CB C 60 18.100 18.706 -0.606 1
1 657 . 19 1 1 A 60 60 ALA N N 60 131.000 128.899 2.101 1
1 658 . 19 1 1 A 61 61 ASN H H 61 5.430 8.265 -2.835 1
1 659 . 19 1 1 A 61 61 ASN HA H 61 4.760 4.910 -0.150 1
1 664 . 19 1 1 A 61 61 ASN C C 61 173.200 174.290 -1.090 1
1 665 . 19 1 1 A 61 61 ASN CA C 61 51.800 52.351 -0.551 1
1 666 . 19 1 1 A 61 61 ASN CB C 61 37.600 37.739 -0.139 1
1 668 . 19 1 1 A 61 61 ASN N N 61 111.100 116.922 -5.822 1
1 670 . 19 1 1 A 62 62 VAL H H 62 6.870 8.417 -1.547 1
1 671 . 19 1 1 A 62 62 VAL HA H 62 3.730 4.466 -0.736 1
1 679 . 19 1 1 A 62 62 VAL C C 62 172.400 174.709 -2.309 1
1 680 . 19 1 1 A 62 62 VAL CA C 62 62.500 62.465 0.035 1
1 681 . 19 1 1 A 62 62 VAL CB C 62 31.300 32.693 -1.393 1
1 684 . 19 1 1 A 62 62 VAL N N 62 120.400 125.368 -4.968 1
1 685 . 19 1 1 A 63 63 GLU H H 63 7.360 8.606 -1.246 1
1 686 . 19 1 1 A 63 63 GLU HA H 63 4.590 4.986 -0.396 1
1 691 . 19 1 1 A 63 63 GLU C C 63 174.500 174.650 -0.150 1
1 692 . 19 1 1 A 63 63 GLU CA C 63 54.000 54.675 -0.675 1
1 693 . 19 1 1 A 63 63 GLU CB C 63 32.700 33.261 -0.561 1
1 695 . 19 1 1 A 63 63 GLU N N 63 126.500 129.408 -2.908 1
1 696 . 19 1 1 A 64 64 TYR H H 64 8.300 8.414 -0.114 1
1 697 . 19 1 1 A 64 64 TYR HA H 64 5.400 5.272 0.128 1
1 704 . 19 1 1 A 64 64 TYR C C 64 173.400 172.051 1.349 1
1 705 . 19 1 1 A 64 64 TYR CA C 64 54.800 55.522 -0.722 1
1 706 . 19 1 1 A 64 64 TYR CB C 64 41.800 41.196 0.604 1
1 711 . 19 1 1 A 64 64 TYR N N 64 118.800 121.524 -2.724 1
1 712 . 19 1 1 A 65 65 GLU H H 65 8.470 8.244 0.226 1
1 713 . 19 1 1 A 65 65 GLU HA H 65 4.440 4.814 -0.374 1
1 718 . 19 1 1 A 65 65 GLU C C 65 173.800 174.683 -0.883 1
1 719 . 19 1 1 A 65 65 GLU CA C 65 54.600 55.037 -0.437 1
1 720 . 19 1 1 A 65 65 GLU CB C 65 35.000 33.623 1.377 1
1 722 . 19 1 1 A 65 65 GLU N N 65 121.300 120.131 1.169 1
1 723 . 19 1 1 A 66 66 VAL H H 66 8.780 8.822 -0.042 1
1 724 . 19 1 1 A 66 66 VAL HA H 66 4.600 4.884 -0.284 1
1 732 . 19 1 1 A 66 66 VAL C C 66 175.900 175.371 0.529 1
1 733 . 19 1 1 A 66 66 VAL CA C 66 60.800 60.299 0.501 1
1 734 . 19 1 1 A 66 66 VAL CB C 66 33.800 34.444 -0.644 1
1 737 . 19 1 1 A 66 66 VAL N N 66 126.000 120.172 5.828 1
1 738 . 19 1 1 A 67 67 ALA H H 67 8.400 8.604 -0.204 1
1 739 . 19 1 1 A 67 67 ALA HA H 67 4.390 4.572 -0.182 1
1 743 . 19 1 1 A 67 67 ALA CA C 67 51.100 50.842 0.258 1
1 744 . 19 1 1 A 67 67 ALA CB C 67 16.800 18.579 -1.779 1
1 745 . 19 1 1 A 67 67 ALA N N 67 132.400 127.729 4.671 1
1 746 . 19 1 1 A 68 68 PRO HA H 68 4.260 4.494 -0.234 1
1 753 . 19 1 1 A 68 68 PRO C C 68 176.400 176.066 0.334 1
1 754 . 19 1 1 A 68 68 PRO CA C 68 63.800 63.334 0.466 1
1 755 . 19 1 1 A 68 68 PRO CB C 68 31.800 32.117 -0.317 1
1 758 . 19 1 1 A 69 69 VAL H H 69 8.240 8.456 -0.216 1
1 759 . 19 1 1 A 69 69 VAL HA H 69 4.360 4.598 -0.238 1
1 767 . 19 1 1 A 69 69 VAL C C 69 175.500 175.178 0.322 1
1 768 . 19 1 1 A 69 69 VAL CA C 69 60.500 60.603 -0.103 1
1 769 . 19 1 1 A 69 69 VAL CB C 69 34.200 35.564 -1.364 1
1 772 . 19 1 1 A 69 69 VAL N N 69 121.600 123.433 -1.833 1
1 773 . 19 1 1 A 70 70 ALA H H 70 8.630 8.746 -0.116 1
1 774 . 19 1 1 A 70 70 ALA HA H 70 4.370 4.452 -0.082 1
1 778 . 19 1 1 A 70 70 ALA C C 70 178.100 177.943 0.157 1
1 779 . 19 1 1 A 70 70 ALA CA C 70 51.700 52.115 -0.415 1
1 780 . 19 1 1 A 70 70 ALA CB C 70 19.700 19.399 0.301 1
1 781 . 19 1 1 A 70 70 ALA N N 70 128.800 129.580 -0.780 1
1 782 . 19 1 1 A 71 71 ASP H H 71 8.640 8.940 -0.300 1
1 783 . 19 1 1 A 71 71 ASP HA H 71 4.330 4.354 -0.024 1
1 786 . 19 1 1 A 71 71 ASP C C 71 177.000 176.736 0.264 1
1 787 . 19 1 1 A 71 71 ASP CA C 71 57.300 57.461 -0.161 1
1 788 . 19 1 1 A 71 71 ASP CB C 71 40.300 40.585 -0.285 1
1 789 . 19 1 1 A 71 71 ASP N N 71 118.900 122.394 -3.494 1
1 790 . 19 1 1 A 72 72 ASN H H 72 8.100 8.258 -0.158 1
1 791 . 19 1 1 A 72 72 ASN HA H 72 4.810 4.774 0.036 1
1 796 . 19 1 1 A 72 72 ASN C C 72 175.300 175.316 -0.016 1
1 797 . 19 1 1 A 72 72 ASN CA C 72 51.900 52.085 -0.185 1
1 798 . 19 1 1 A 72 72 ASN CB C 72 37.400 37.443 -0.043 1
1 800 . 19 1 1 A 72 72 ASN N N 72 114.800 113.202 1.598 1
1 802 . 19 1 1 A 73 73 ALA H H 73 7.580 7.317 0.263 1
1 803 . 19 1 1 A 73 73 ALA HA H 73 4.230 4.222 0.008 1
1 807 . 19 1 1 A 73 73 ALA C C 73 176.300 178.610 -2.310 1
1 808 . 19 1 1 A 73 73 ALA CA C 73 53.200 52.779 0.421 1
1 809 . 19 1 1 A 73 73 ALA CB C 73 21.000 19.004 1.996 1
1 810 . 19 1 1 A 73 73 ALA N N 73 123.400 123.111 0.289 1
1 811 . 19 1 1 A 74 74 THR H H 74 8.220 8.893 -0.673 1
1 812 . 19 1 1 A 74 74 THR HA H 74 4.560 4.672 -0.112 1
1 817 . 19 1 1 A 74 74 THR C C 74 174.100 174.323 -0.223 1
1 818 . 19 1 1 A 74 74 THR CA C 74 60.200 61.720 -1.520 1
1 819 . 19 1 1 A 74 74 THR CB C 74 69.900 69.626 0.274 1
1 821 . 19 1 1 A 74 74 THR N N 74 104.600 112.472 -7.872 1
1 822 . 19 1 1 A 75 75 GLU H H 75 7.310 7.597 -0.287 1
1 823 . 19 1 1 A 75 75 GLU HA H 75 5.190 4.888 0.302 1
1 828 . 19 1 1 A 75 75 GLU C C 75 173.600 173.602 -0.002 1
1 829 . 19 1 1 A 75 75 GLU CA C 75 54.100 54.998 -0.898 1
1 830 . 19 1 1 A 75 75 GLU CB C 75 34.100 33.375 0.725 1
1 832 . 19 1 1 A 75 75 GLU N N 75 119.100 122.075 -2.975 1
1 833 . 19 1 1 A 76 76 LEU H H 76 8.400 8.700 -0.300 1
1 834 . 19 1 1 A 76 76 LEU HA H 76 4.650 5.219 -0.569 1
1 844 . 19 1 1 A 76 76 LEU C C 76 174.100 174.331 -0.231 1
1 845 . 19 1 1 A 76 76 LEU CA C 76 54.200 53.212 0.988 1
1 846 . 19 1 1 A 76 76 LEU CB C 76 47.400 45.603 1.797 1
1 850 . 19 1 1 A 76 76 LEU N N 76 122.600 125.633 -3.033 1
1 851 . 19 1 1 A 77 77 HIS H H 77 9.340 8.950 0.390 1
1 852 . 19 1 1 A 77 77 HIS HA H 77 5.440 5.275 0.165 1
1 855 . 19 1 1 A 77 77 HIS C C 77 172.700 173.861 -1.161 1
1 856 . 19 1 1 A 77 77 HIS CA C 77 54.400 53.601 0.799 1
1 857 . 19 1 1 A 77 77 HIS CB C 77 31.700 31.778 -0.078 1
1 858 . 19 1 1 A 77 77 HIS N N 77 123.500 126.631 -3.131 1
1 859 . 19 1 1 A 78 78 ALA H H 78 9.190 8.750 0.440 1
1 860 . 19 1 1 A 78 78 ALA HA H 78 5.620 5.079 0.541 1
1 864 . 19 1 1 A 78 78 ALA C C 78 175.600 175.257 0.343 1
1 865 . 19 1 1 A 78 78 ALA CA C 78 50.300 51.225 -0.925 1
1 866 . 19 1 1 A 78 78 ALA CB C 78 24.100 24.238 -0.138 1
1 867 . 19 1 1 A 78 78 ALA N N 78 124.800 129.168 -4.368 1
1 868 . 19 1 1 A 79 79 ARG H H 79 8.680 8.332 0.348 1
1 869 . 19 1 1 A 79 79 ARG HA H 79 5.230 5.284 -0.054 1
1 874 . 19 1 1 A 79 79 ARG C C 79 173.900 175.008 -1.108 1
1 875 . 19 1 1 A 79 79 ARG CA C 79 55.300 54.443 0.857 1
1 876 . 19 1 1 A 79 79 ARG CB C 79 34.400 34.685 -0.285 1
1 879 . 19 1 1 A 79 79 ARG N N 79 119.100 118.308 0.792 1
1 880 . 19 1 1 A 80 80 PHE H H 80 8.970 8.817 0.153 1
1 881 . 19 1 1 A 80 80 PHE HA H 80 4.720 4.961 -0.241 1
1 889 . 19 1 1 A 80 80 PHE C C 80 172.700 173.994 -1.294 1
1 890 . 19 1 1 A 80 80 PHE CA C 80 56.300 56.204 0.096 1
1 891 . 19 1 1 A 80 80 PHE CB C 80 42.600 42.624 -0.024 1
1 897 . 19 1 1 A 80 80 PHE N N 80 119.200 121.396 -2.196 1
1 898 . 19 1 1 A 81 81 LYS H H 81 9.350 8.930 0.420 1
1 899 . 19 1 1 A 81 81 LYS HA H 81 4.800 4.908 -0.108 1
1 908 . 19 1 1 A 81 81 LYS C C 81 174.500 175.044 -0.544 1
1 909 . 19 1 1 A 81 81 LYS CA C 81 55.600 54.700 0.900 1
1 910 . 19 1 1 A 81 81 LYS CB C 81 35.200 34.215 0.985 1
1 914 . 19 1 1 A 81 81 LYS N N 81 124.500 123.438 1.062 1
1 915 . 19 1 1 A 82 82 PHE H H 82 8.840 8.697 0.143 1
1 916 . 19 1 1 A 82 82 PHE HA H 82 4.550 4.220 0.330 1
1 924 . 19 1 1 A 82 82 PHE C C 82 173.200 175.638 -2.438 1
1 925 . 19 1 1 A 82 82 PHE CA C 82 57.800 58.337 -0.537 1
1 926 . 19 1 1 A 82 82 PHE CB C 82 40.100 39.530 0.570 1
1 932 . 19 1 1 A 82 82 PHE N N 82 127.900 124.786 3.114 1
1 933 . 19 1 1 A 83 83 GLU H H 83 7.590 8.046 -0.456 1
1 934 . 19 1 1 A 83 83 GLU HA H 83 4.120 4.586 -0.466 1
1 939 . 19 1 1 A 83 83 GLU C C 83 177.500 175.589 1.911 1
1 940 . 19 1 1 A 83 83 GLU CA C 83 58.900 57.791 1.109 1
1 941 . 19 1 1 A 83 83 GLU CB C 83 29.900 32.650 -2.750 1
1 943 . 19 1 1 A 83 83 GLU N N 83 119.400 116.852 2.548 1
1 944 . 19 1 1 A 84 84 VAL H H 84 7.470 7.636 -0.166 1
1 945 . 19 1 1 A 84 84 VAL HA H 84 4.770 4.658 0.112 1
1 953 . 19 1 1 A 84 84 VAL C C 84 177.100 175.814 1.286 1
1 954 . 19 1 1 A 84 84 VAL CA C 84 58.500 58.888 -0.388 1
1 955 . 19 1 1 A 84 84 VAL CB C 84 36.000 35.072 0.928 1
1 958 . 19 1 1 A 84 84 VAL N N 84 108.000 115.506 -7.506 1
1 959 . 19 1 1 A 85 85 SER H H 85 8.980 9.055 -0.075 1
1 960 . 19 1 1 A 85 85 SER HA H 85 4.160 4.219 -0.059 1
1 963 . 19 1 1 A 85 85 SER C C 85 176.900 176.598 0.302 1
1 964 . 19 1 1 A 85 85 SER CA C 85 61.200 61.199 0.001 1
1 965 . 19 1 1 A 85 85 SER CB C 85 62.600 63.223 -0.623 1
1 966 . 19 1 1 A 85 85 SER N N 85 120.300 120.062 0.238 1
1 967 . 19 1 1 A 86 86 ALA H H 86 8.370 8.323 0.047 1
1 968 . 19 1 1 A 86 86 ALA HA H 86 4.000 3.925 0.075 1
1 972 . 19 1 1 A 86 86 ALA C C 86 180.500 179.560 0.940 1
1 973 . 19 1 1 A 86 86 ALA CA C 86 55.600 55.447 0.153 1
1 974 . 19 1 1 A 86 86 ALA CB C 86 18.500 18.185 0.315 1
1 975 . 19 1 1 A 86 86 ALA N N 86 121.800 123.122 -1.322 1
1 976 . 19 1 1 A 87 87 GLU H H 87 6.920 7.807 -0.887 1
1 977 . 19 1 1 A 87 87 GLU HA H 87 3.640 3.939 -0.299 1
1 982 . 19 1 1 A 87 87 GLU C C 87 176.700 178.893 -2.193 1
1 983 . 19 1 1 A 87 87 GLU CA C 87 58.000 59.039 -1.039 1
1 984 . 19 1 1 A 87 87 GLU CB C 87 29.300 28.995 0.305 1
1 986 . 19 1 1 A 87 87 GLU N N 87 114.800 117.995 -3.195 1
1 987 . 19 1 1 A 88 88 LYS H H 88 6.520 7.689 -1.169 1
1 988 . 19 1 1 A 88 88 LYS HA H 88 3.140 3.706 -0.566 1
1 997 . 19 1 1 A 88 88 LYS C C 88 178.100 178.969 -0.869 1
1 998 . 19 1 1 A 88 88 LYS CA C 88 59.700 59.077 0.623 1
1 999 . 19 1 1 A 88 88 LYS CB C 88 32.300 32.038 0.262 1
1 1003 . 19 1 1 A 88 88 LYS N N 88 119.900 121.471 -1.571 1
1 1004 . 19 1 1 A 89 89 LEU H H 89 7.920 7.789 0.131 1
1 1005 . 19 1 1 A 89 89 LEU HA H 89 4.080 4.011 0.069 1
1 1015 . 19 1 1 A 89 89 LEU C C 89 179.900 179.047 0.853 1
1 1016 . 19 1 1 A 89 89 LEU CA C 89 58.000 58.139 -0.139 1
1 1017 . 19 1 1 A 89 89 LEU CB C 89 41.500 41.699 -0.199 1
1 1021 . 19 1 1 A 89 89 LEU N N 89 118.200 118.730 -0.530 1
1 1022 . 19 1 1 A 90 90 ILE H H 90 7.570 7.689 -0.119 1
1 1023 . 19 1 1 A 90 90 ILE HA H 90 3.710 3.565 0.145 1
1 1033 . 19 1 1 A 90 90 ILE C C 90 178.000 178.165 -0.165 1
1 1034 . 19 1 1 A 90 90 ILE CA C 90 64.700 65.277 -0.577 1
1 1035 . 19 1 1 A 90 90 ILE CB C 90 37.600 37.682 -0.082 1
1 1039 . 19 1 1 A 90 90 ILE N N 90 120.400 119.704 0.696 1
1 1040 . 19 1 1 A 91 91 PHE H H 91 8.180 8.850 -0.670 1
1 1041 . 19 1 1 A 91 91 PHE HA H 91 3.920 3.921 -0.001 1
1 1049 . 19 1 1 A 91 91 PHE C C 91 177.200 177.359 -0.159 1
1 1050 . 19 1 1 A 91 91 PHE CA C 91 61.600 61.301 0.299 1
1 1051 . 19 1 1 A 91 91 PHE CB C 91 39.600 39.205 0.395 1
1 1057 . 19 1 1 A 91 91 PHE N N 91 120.100 120.088 0.012 1
1 1058 . 19 1 1 A 92 92 GLU H H 92 8.470 8.665 -0.195 1
1 1059 . 19 1 1 A 92 92 GLU HA H 92 3.620 4.078 -0.458 1
1 1064 . 19 1 1 A 92 92 GLU C C 92 179.100 178.366 0.734 1
1 1065 . 19 1 1 A 92 92 GLU CA C 92 60.100 59.149 0.951 1
1 1066 . 19 1 1 A 92 92 GLU CB C 92 29.300 29.381 -0.081 1
1 1068 . 19 1 1 A 92 92 GLU N N 92 118.800 119.369 -0.569 1
1 1069 . 19 1 1 A 93 93 LEU H H 93 7.980 7.920 0.060 1
1 1070 . 19 1 1 A 93 93 LEU HA H 93 4.000 4.024 -0.024 1
1 1080 . 19 1 1 A 93 93 LEU C C 93 180.600 178.548 2.052 1
1 1081 . 19 1 1 A 93 93 LEU CA C 93 58.300 57.809 0.491 1
1 1082 . 19 1 1 A 93 93 LEU CB C 93 41.700 41.749 -0.049 1
1 1086 . 19 1 1 A 93 93 LEU N N 93 120.800 120.967 -0.167 1
1 1087 . 19 1 1 A 94 94 LYS H H 94 8.340 7.585 0.755 1
1 1088 . 19 1 1 A 94 94 LYS HA H 94 3.990 3.824 0.166 1
1 1097 . 19 1 1 A 94 94 LYS C C 94 179.600 179.214 0.386 1
1 1098 . 19 1 1 A 94 94 LYS CA C 94 59.200 59.231 -0.031 1
1 1099 . 19 1 1 A 94 94 LYS CB C 94 33.100 32.124 0.976 1
1 1103 . 19 1 1 A 94 94 LYS N N 94 119.300 118.754 0.546 1
1 1104 . 19 1 1 A 95 95 THR H H 95 8.100 7.757 0.343 1
1 1105 . 19 1 1 A 95 95 THR HA H 95 3.640 3.278 0.362 1
1 1110 . 19 1 1 A 95 95 THR C C 95 176.800 176.852 -0.052 1
1 1111 . 19 1 1 A 95 95 THR CA C 95 63.800 65.255 -1.455 1
1 1112 . 19 1 1 A 95 95 THR CB C 95 68.900 67.674 1.226 1
1 1114 . 19 1 1 A 95 95 THR N N 95 109.700 112.358 -2.658 1
1 1115 . 19 1 1 A 96 96 ARG H H 96 7.570 8.076 -0.506 1
1 1116 . 19 1 1 A 96 96 ARG HA H 96 4.060 4.031 0.029 1
1 1124 . 19 1 1 A 96 96 ARG C C 96 178.300 178.652 -0.352 1
1 1125 . 19 1 1 A 96 96 ARG CA C 96 59.500 59.961 -0.461 1
1 1126 . 19 1 1 A 96 96 ARG CB C 96 29.800 29.829 -0.029 1
1 1130 . 19 1 1 A 96 96 ARG N N 96 123.200 121.803 1.397 1
1 1132 . 19 1 1 A 97 97 ALA H H 97 7.520 7.834 -0.314 1
1 1133 . 19 1 1 A 97 97 ALA HA H 97 4.130 4.008 0.122 1
1 1137 . 19 1 1 A 97 97 ALA C C 97 179.500 180.322 -0.822 1
1 1138 . 19 1 1 A 97 97 ALA CA C 97 54.100 55.043 -0.943 1
1 1139 . 19 1 1 A 97 97 ALA CB C 97 18.200 18.342 -0.142 1
1 1140 . 19 1 1 A 97 97 ALA N N 97 119.700 121.896 -2.196 1
1 1141 . 19 1 1 A 98 98 LEU H H 98 7.370 7.863 -0.493 1
1 1142 . 19 1 1 A 98 98 LEU HA H 98 4.070 3.922 0.148 1
1 1152 . 19 1 1 A 98 98 LEU C C 98 178.800 178.766 0.034 1
1 1153 . 19 1 1 A 98 98 LEU CA C 98 56.500 57.743 -1.243 1
1 1154 . 19 1 1 A 98 98 LEU CB C 98 41.700 41.571 0.129 1
1 1158 . 19 1 1 A 98 98 LEU N N 98 118.300 118.396 -0.096 1
1 1159 . 19 1 1 A 99 99 ALA H H 99 7.940 8.254 -0.314 1
1 1160 . 19 1 1 A 99 99 ALA HA H 99 4.250 4.120 0.130 1
1 1164 . 19 1 1 A 99 99 ALA C C 99 179.100 179.192 -0.092 1
1 1165 . 19 1 1 A 99 99 ALA CA C 99 53.600 55.109 -1.509 1
1 1166 . 19 1 1 A 99 99 ALA CB C 99 18.600 18.260 0.340 1
1 1167 . 19 1 1 A 99 99 ALA N N 99 122.100 122.185 -0.085 1
1 1168 . 19 1 1 A 100 100 ARG H H 100 7.840 8.044 -0.204 1
1 1169 . 19 1 1 A 100 100 ARG HA H 100 4.210 4.345 -0.135 1
1 1176 . 19 1 1 A 100 100 ARG C C 100 177.100 176.721 0.379 1
1 1177 . 19 1 1 A 100 100 ARG CA C 100 57.100 55.808 1.292 1
1 1178 . 19 1 1 A 100 100 ARG CB C 100 30.300 30.553 -0.253 1
1 1181 . 19 1 1 A 100 100 ARG N N 100 117.900 114.809 3.091 1
1 1182 . 19 1 1 A 101 101 LEU H H 101 7.890 7.964 -0.074 1
1 1183 . 19 1 1 A 101 101 LEU HA H 101 4.240 4.345 -0.105 1
1 1193 . 19 1 1 A 101 101 LEU C C 101 177.800 175.620 2.180 1
1 1194 . 19 1 1 A 101 101 LEU CA C 101 55.700 55.239 0.461 1
1 1195 . 19 1 1 A 101 101 LEU CB C 101 41.900 41.358 0.542 1
1 1199 . 19 1 1 A 101 101 LEU N N 101 120.800 120.055 0.745 1
1 1200 . 19 1 1 A 102 102 GLU H H 102 8.040 8.564 -0.524 1
1 1201 . 19 1 1 A 102 102 GLU HA H 102 4.240 3.847 0.393 1
1 1206 . 19 1 1 A 102 102 GLU C C 102 176.500 176.705 -0.205 1
1 1207 . 19 1 1 A 102 102 GLU CA C 102 56.600 56.596 0.004 1
1 1208 . 19 1 1 A 102 102 GLU CB C 102 30.000 30.032 -0.032 1
1 1210 . 19 1 1 A 102 102 GLU N N 102 120.100 124.226 -4.126 1
1 1211 . 19 1 1 A 103 103 HIS H H 103 8.200 8.819 -0.619 1
1 1212 . 19 1 1 A 103 103 HIS HA H 103 4.540 4.156 0.384 1
1 1216 . 19 1 1 A 103 103 HIS CA C 103 56.100 57.136 -1.036 1
1 1217 . 19 1 1 A 103 103 HIS CB C 103 29.900 27.046 2.854 1
1 1218 . 19 1 1 A 103 103 HIS N N 103 119.200 115.519 3.681 1
1 1219 . 19 1 1 A 107 107 HIS HA H 107 4.560 4.484 0.076 1
1 1222 . 19 1 1 A 107 107 HIS C C 107 173.800 175.736 -1.936 1
1 1223 . 19 1 1 A 107 107 HIS CA C 107 55.800 55.974 -0.174 1
1 1224 . 19 1 1 A 107 107 HIS CB C 107 29.900 30.146 -0.246 1
1 1 . 20 1 1 A 4 4 GLN HA H 4 4.360 4.647 -0.287 1
1 7 . 20 1 1 A 4 4 GLN C C 4 176.100 176.079 0.021 1
1 8 . 20 1 1 A 4 4 GLN CA C 4 56.000 55.143 0.857 1
1 9 . 20 1 1 A 4 4 GLN CB C 4 29.300 29.544 -0.244 1
1 11 . 20 1 1 A 5 5 THR H H 5 8.280 8.550 -0.270 1
1 12 . 20 1 1 A 5 5 THR HA H 5 4.320 4.404 -0.084 1
1 17 . 20 1 1 A 5 5 THR C C 5 174.300 174.321 -0.021 1
1 18 . 20 1 1 A 5 5 THR CA C 5 62.200 62.364 -0.164 1
1 19 . 20 1 1 A 5 5 THR CB C 5 69.600 69.976 -0.376 1
1 21 . 20 1 1 A 5 5 THR N N 5 115.700 115.651 0.049 1
1 22 . 20 1 1 A 6 6 CYS H H 6 8.410 7.993 0.417 1
1 23 . 20 1 1 A 6 6 CYS HA H 6 4.540 4.310 0.230 1
1 26 . 20 1 1 A 6 6 CYS C C 6 174.400 173.395 1.005 1
1 27 . 20 1 1 A 6 6 CYS CA C 6 58.200 60.202 -2.002 1
1 28 . 20 1 1 A 6 6 CYS CB C 6 27.800 26.790 1.010 1
1 29 . 20 1 1 A 6 6 CYS N N 6 121.900 119.250 2.650 1
1 30 . 20 1 1 A 7 7 VAL H H 7 8.290 8.445 -0.155 1
1 31 . 20 1 1 A 7 7 VAL HA H 7 4.090 4.622 -0.532 1
1 39 . 20 1 1 A 7 7 VAL C C 7 176.100 175.471 0.629 1
1 40 . 20 1 1 A 7 7 VAL CA C 7 62.400 60.225 2.175 1
1 41 . 20 1 1 A 7 7 VAL CB C 7 32.500 33.314 -0.814 1
1 44 . 20 1 1 A 7 7 VAL N N 7 122.700 125.909 -3.209 1
1 45 . 20 1 1 A 8 8 GLU H H 8 8.510 8.713 -0.203 1
1 46 . 20 1 1 A 8 8 GLU HA H 8 4.240 4.226 0.014 1
1 51 . 20 1 1 A 8 8 GLU C C 8 176.100 176.492 -0.392 1
1 52 . 20 1 1 A 8 8 GLU CA C 8 56.900 56.972 -0.072 1
1 53 . 20 1 1 A 8 8 GLU CB C 8 30.100 30.216 -0.116 1
1 55 . 20 1 1 A 8 8 GLU N N 8 124.300 126.967 -2.667 1
1 56 . 20 1 1 A 9 9 ASN H H 9 8.390 9.057 -0.667 1
1 57 . 20 1 1 A 9 9 ASN HA H 9 4.650 4.471 0.179 1
1 62 . 20 1 1 A 9 9 ASN C C 9 174.900 174.898 0.002 1
1 63 . 20 1 1 A 9 9 ASN CA C 9 53.400 53.993 -0.593 1
1 64 . 20 1 1 A 9 9 ASN CB C 9 39.000 36.261 2.739 1
1 66 . 20 1 1 A 9 9 ASN N N 9 119.300 121.118 -1.818 1
1 68 . 20 1 1 A 10 10 GLU H H 10 8.330 8.105 0.225 1
1 69 . 20 1 1 A 10 10 GLU HA H 10 4.250 4.053 0.197 1
1 74 . 20 1 1 A 10 10 GLU C C 10 176.400 177.450 -1.050 1
1 75 . 20 1 1 A 10 10 GLU CA C 10 56.800 58.475 -1.675 1
1 76 . 20 1 1 A 10 10 GLU CB C 10 30.200 28.270 1.930 1
1 78 . 20 1 1 A 10 10 GLU N N 10 121.400 114.575 6.825 1
1 79 . 20 1 1 A 11 11 VAL H H 11 8.250 8.525 -0.275 1
1 80 . 20 1 1 A 11 11 VAL HA H 11 4.090 3.993 0.097 1
1 88 . 20 1 1 A 11 11 VAL C C 11 176.100 175.136 0.964 1
1 89 . 20 1 1 A 11 11 VAL CA C 11 62.400 62.968 -0.568 1
1 90 . 20 1 1 A 11 11 VAL CB C 11 32.500 31.949 0.551 1
1 93 . 20 1 1 A 11 11 VAL N N 11 121.900 121.244 0.656 1
1 94 . 20 1 1 A 12 12 CYS H H 12 8.450 7.972 0.478 1
1 95 . 20 1 1 A 12 12 CYS HA H 12 4.500 4.078 0.422 1
1 98 . 20 1 1 A 12 12 CYS C C 12 174.400 174.781 -0.381 1
1 99 . 20 1 1 A 12 12 CYS CA C 12 58.300 59.891 -1.591 1
1 100 . 20 1 1 A 12 12 CYS CB C 12 28.000 26.041 1.959 1
1 101 . 20 1 1 A 12 12 CYS N N 12 123.800 121.058 2.742 1
1 102 . 20 1 1 A 13 13 GLU H H 13 8.560 7.859 0.701 1
1 103 . 20 1 1 A 13 13 GLU HA H 13 4.260 4.337 -0.077 1
1 108 . 20 1 1 A 13 13 GLU C C 13 176.100 176.710 -0.610 1
1 109 . 20 1 1 A 13 13 GLU CA C 13 56.700 56.975 -0.275 1
1 110 . 20 1 1 A 13 13 GLU CB C 13 30.200 30.681 -0.481 1
1 112 . 20 1 1 A 13 13 GLU N N 13 124.100 120.927 3.173 1
1 113 . 20 1 1 A 14 14 ALA H H 14 8.400 8.725 -0.325 1
1 114 . 20 1 1 A 14 14 ALA HA H 14 4.350 4.669 -0.319 1
1 118 . 20 1 1 A 14 14 ALA C C 14 177.700 178.028 -0.328 1
1 119 . 20 1 1 A 14 14 ALA CA C 14 52.600 51.649 0.951 1
1 120 . 20 1 1 A 14 14 ALA CB C 14 19.100 20.712 -1.612 1
1 121 . 20 1 1 A 14 14 ALA N N 14 125.400 127.948 -2.548 1
1 122 . 20 1 1 A 15 15 CYS H H 15 8.370 8.005 0.365 1
1 123 . 20 1 1 A 15 15 CYS HA H 15 4.490 4.220 0.270 1
1 126 . 20 1 1 A 15 15 CYS C C 15 175.100 176.403 -1.303 1
1 127 . 20 1 1 A 15 15 CYS CA C 15 58.400 62.823 -4.423 1
1 128 . 20 1 1 A 15 15 CYS CB C 15 28.000 27.047 0.953 1
1 129 . 20 1 1 A 15 15 CYS N N 15 118.500 116.878 1.622 1
1 130 . 20 1 1 A 16 16 GLY H H 16 8.480 8.393 0.087 1
1 131 . 20 1 1 A 16 16 GLY HA2 H 16 3.970 4.014 -0.044 1
1 132 . 20 1 1 A 16 16 GLY HA3 H 16 3.970 4.014 -0.044 1
1 133 . 20 1 1 A 16 16 GLY C C 16 174.100 172.882 1.218 1
1 134 . 20 1 1 A 16 16 GLY CA C 16 45.400 45.305 0.095 1
1 135 . 20 1 1 A 16 16 GLY N N 16 111.300 108.219 3.081 1
1 136 . 20 1 1 A 17 17 CYS H H 17 8.300 8.738 -0.438 1
1 137 . 20 1 1 A 17 17 CYS HA H 17 4.500 5.146 -0.646 1
1 140 . 20 1 1 A 17 17 CYS C C 17 174.500 174.541 -0.041 1
1 141 . 20 1 1 A 17 17 CYS CA C 17 58.300 57.888 0.412 1
1 142 . 20 1 1 A 17 17 CYS CB C 17 28.100 31.412 -3.312 1
1 143 . 20 1 1 A 17 17 CYS N N 17 118.900 122.834 -3.934 1
1 144 . 20 1 1 A 18 18 ALA H H 18 8.520 8.336 0.184 1
1 145 . 20 1 1 A 18 18 ALA HA H 18 4.260 4.084 0.176 1
1 149 . 20 1 1 A 18 18 ALA C C 18 178.000 177.032 0.968 1
1 150 . 20 1 1 A 18 18 ALA CA C 18 52.900 53.552 -0.652 1
1 151 . 20 1 1 A 18 18 ALA CB C 18 19.000 18.288 0.712 1
1 152 . 20 1 1 A 18 18 ALA N N 18 126.800 122.544 4.256 1
1 153 . 20 1 1 A 19 19 GLY H H 19 8.310 8.406 -0.096 1
1 154 . 20 1 1 A 19 19 GLY HA2 H 19 3.890 4.122 -0.232 1
1 155 . 20 1 1 A 19 19 GLY HA3 H 19 3.890 4.123 -0.233 1
1 156 . 20 1 1 A 19 19 GLY C C 19 174.000 173.174 0.826 1
1 157 . 20 1 1 A 19 19 GLY CA C 19 45.000 45.872 -0.872 1
1 158 . 20 1 1 A 19 19 GLY N N 19 108.100 107.847 0.253 1
1 159 . 20 1 1 A 20 20 GLU H H 20 8.180 8.521 -0.341 1
1 160 . 20 1 1 A 20 20 GLU HA H 20 4.270 4.228 0.042 1
1 165 . 20 1 1 A 20 20 GLU C C 20 176.400 177.310 -0.910 1
1 166 . 20 1 1 A 20 20 GLU CA C 20 56.200 56.742 -0.542 1
1 167 . 20 1 1 A 20 20 GLU CB C 20 30.100 30.015 0.085 1
1 169 . 20 1 1 A 20 20 GLU N N 20 120.500 118.981 1.519 1
1 170 . 20 1 1 A 21 21 ILE H H 21 8.160 8.931 -0.771 1
1 171 . 20 1 1 A 21 21 ILE HA H 21 4.020 3.896 0.124 1
1 181 . 20 1 1 A 21 21 ILE C C 21 176.400 176.395 0.005 1
1 182 . 20 1 1 A 21 21 ILE CA C 21 61.200 63.499 -2.299 1
1 183 . 20 1 1 A 21 21 ILE CB C 21 38.200 38.658 -0.458 1
1 187 . 20 1 1 A 21 21 ILE N N 21 122.000 123.704 -1.704 1
1 188 . 20 1 1 A 22 22 GLY H H 22 8.260 7.759 0.501 1
1 189 . 20 1 1 A 22 22 GLY HA2 H 22 3.740 3.882 -0.142 1
1 190 . 20 1 1 A 22 22 GLY HA3 H 22 3.880 4.029 -0.149 1
1 191 . 20 1 1 A 22 22 GLY C C 22 173.200 173.572 -0.372 1
1 192 . 20 1 1 A 22 22 GLY CA C 22 45.100 44.658 0.442 1
1 193 . 20 1 1 A 22 22 GLY N N 22 112.500 108.613 3.887 1
1 194 . 20 1 1 A 23 23 PHE H H 23 7.890 8.501 -0.611 1
1 195 . 20 1 1 A 23 23 PHE HA H 23 4.550 4.627 -0.077 1
1 202 . 20 1 1 A 23 23 PHE CA C 23 58.100 58.466 -0.366 1
1 203 . 20 1 1 A 23 23 PHE CB C 23 41.200 39.314 1.886 1
1 206 . 20 1 1 A 23 23 PHE N N 23 119.700 122.082 -2.382 1
1 207 . 20 1 1 A 24 24 ILE HA H 24 3.970 3.742 0.228 1
1 217 . 20 1 1 A 24 24 ILE CA C 24 62.400 65.374 -2.974 1
1 218 . 20 1 1 A 24 24 ILE CB C 24 37.700 37.507 0.193 1
1 222 . 20 1 1 A 25 25 ILE H H 25 8.950 7.786 1.164 1
1 223 . 20 1 1 A 25 25 ILE HA H 25 3.740 3.656 0.084 1
1 233 . 20 1 1 A 25 25 ILE C C 25 175.200 176.009 -0.809 1
1 234 . 20 1 1 A 25 25 ILE CA C 25 62.700 64.543 -1.843 1
1 235 . 20 1 1 A 25 25 ILE CB C 25 38.200 37.706 0.494 1
1 239 . 20 1 1 A 25 25 ILE N N 25 124.800 120.643 4.157 1
1 240 . 20 1 1 A 26 26 ARG H H 26 8.040 8.129 -0.089 1
1 241 . 20 1 1 A 26 26 ARG HA H 26 4.140 4.057 0.083 1
1 248 . 20 1 1 A 26 26 ARG C C 26 175.900 175.289 0.611 1
1 249 . 20 1 1 A 26 26 ARG CA C 26 55.300 56.985 -1.685 1
1 250 . 20 1 1 A 26 26 ARG CB C 26 31.100 28.956 2.144 1
1 253 . 20 1 1 A 26 26 ARG N N 26 128.100 121.543 6.557 1
1 254 . 20 1 1 A 27 27 GLU H H 27 8.560 8.581 -0.021 1
1 255 . 20 1 1 A 27 27 GLU HA H 27 4.030 4.029 0.001 1
1 260 . 20 1 1 A 27 27 GLU C C 27 176.300 176.498 -0.198 1
1 261 . 20 1 1 A 27 27 GLU CA C 27 57.000 57.153 -0.153 1
1 262 . 20 1 1 A 27 27 GLU CB C 27 30.000 28.187 1.813 1
1 264 . 20 1 1 A 27 27 GLU N N 27 123.500 119.364 4.136 1
1 265 . 20 1 1 A 28 28 GLY H H 28 8.420 8.325 0.095 1
1 266 . 20 1 1 A 28 28 GLY HA2 H 28 4.050 3.900 0.150 1
1 267 . 20 1 1 A 28 28 GLY HA3 H 28 4.220 3.909 0.311 1
1 268 . 20 1 1 A 28 28 GLY C C 28 174.000 174.016 -0.016 1
1 269 . 20 1 1 A 28 28 GLY CA C 28 45.400 46.245 -0.845 1
1 270 . 20 1 1 A 28 28 GLY N N 28 108.300 113.605 -5.305 1
1 271 . 20 1 1 A 29 29 ASP H H 29 8.690 8.125 0.565 1
1 272 . 20 1 1 A 29 29 ASP HA H 29 4.430 4.326 0.104 1
1 275 . 20 1 1 A 29 29 ASP C C 29 175.200 175.637 -0.437 1
1 276 . 20 1 1 A 29 29 ASP CA C 29 56.300 55.013 1.287 1
1 277 . 20 1 1 A 29 29 ASP CB C 29 40.300 38.640 1.660 1
1 278 . 20 1 1 A 29 29 ASP N N 29 119.800 116.761 3.039 1
1 279 . 20 1 1 A 30 30 ASP H H 30 8.630 7.956 0.674 1
1 280 . 20 1 1 A 30 30 ASP HA H 30 4.260 4.927 -0.667 1
1 283 . 20 1 1 A 30 30 ASP C C 30 174.300 175.673 -1.373 1
1 284 . 20 1 1 A 30 30 ASP CA C 30 52.600 53.194 -0.594 1
1 285 . 20 1 1 A 30 30 ASP CB C 30 39.200 40.927 -1.727 1
1 286 . 20 1 1 A 30 30 ASP N N 30 114.900 117.131 -2.231 1
1 287 . 20 1 1 A 31 31 VAL H H 31 7.550 7.724 -0.174 1
1 288 . 20 1 1 A 31 31 VAL HA H 31 5.300 4.942 0.358 1
1 296 . 20 1 1 A 31 31 VAL C C 31 175.800 174.803 0.997 1
1 297 . 20 1 1 A 31 31 VAL CA C 31 60.700 60.403 0.297 1
1 298 . 20 1 1 A 31 31 VAL CB C 31 35.000 34.846 0.154 1
1 301 . 20 1 1 A 31 31 VAL N N 31 120.500 119.512 0.988 1
1 302 . 20 1 1 A 32 32 ALA H H 32 9.580 9.357 0.223 1
1 303 . 20 1 1 A 32 32 ALA HA H 32 5.030 5.399 -0.369 1
1 307 . 20 1 1 A 32 32 ALA C C 32 175.800 175.241 0.559 1
1 308 . 20 1 1 A 32 32 ALA CA C 32 50.000 50.231 -0.231 1
1 309 . 20 1 1 A 32 32 ALA CB C 32 22.800 23.011 -0.211 1
1 310 . 20 1 1 A 32 32 ALA N N 32 130.500 129.308 1.192 1
1 311 . 20 1 1 A 33 33 GLU H H 33 9.270 8.916 0.354 1
1 312 . 20 1 1 A 33 33 GLU HA H 33 5.140 5.328 -0.188 1
1 317 . 20 1 1 A 33 33 GLU C C 33 175.900 175.190 0.710 1
1 318 . 20 1 1 A 33 33 GLU CA C 33 55.300 55.376 -0.076 1
1 319 . 20 1 1 A 33 33 GLU CB C 33 31.500 32.869 -1.369 1
1 321 . 20 1 1 A 33 33 GLU N N 33 124.500 121.514 2.986 1
1 322 . 20 1 1 A 34 34 VAL H H 34 9.140 9.053 0.087 1
1 323 . 20 1 1 A 34 34 VAL HA H 34 4.580 4.951 -0.371 1
1 331 . 20 1 1 A 34 34 VAL C C 34 174.300 174.979 -0.679 1
1 332 . 20 1 1 A 34 34 VAL CA C 34 60.800 60.891 -0.091 1
1 333 . 20 1 1 A 34 34 VAL CB C 34 35.700 34.938 0.762 1
1 336 . 20 1 1 A 34 34 VAL N N 34 124.700 126.436 -1.736 1
1 337 . 20 1 1 A 35 35 SER H H 35 8.450 8.982 -0.532 1
1 338 . 20 1 1 A 35 35 SER HA H 35 5.060 5.014 0.046 1
1 341 . 20 1 1 A 35 35 SER C C 35 172.100 172.657 -0.557 1
1 342 . 20 1 1 A 35 35 SER CA C 35 56.900 57.844 -0.944 1
1 343 . 20 1 1 A 35 35 SER CB C 35 64.800 64.163 0.637 1
1 344 . 20 1 1 A 35 35 SER N N 35 122.100 125.375 -3.275 1
1 345 . 20 1 1 A 36 36 LEU H H 36 8.540 8.621 -0.081 1
1 346 . 20 1 1 A 36 36 LEU HA H 36 4.570 5.293 -0.723 1
1 356 . 20 1 1 A 36 36 LEU C C 36 174.200 173.886 0.314 1
1 357 . 20 1 1 A 36 36 LEU CA C 36 52.600 52.449 0.151 1
1 358 . 20 1 1 A 36 36 LEU CB C 36 45.600 45.597 0.003 1
1 362 . 20 1 1 A 36 36 LEU N N 36 123.600 128.794 -5.194 1
1 363 . 20 1 1 A 37 37 PHE H H 37 8.400 8.992 -0.592 1
1 364 . 20 1 1 A 37 37 PHE HA H 37 5.300 5.310 -0.010 1
1 369 . 20 1 1 A 37 37 PHE C C 37 175.600 174.342 1.258 1
1 370 . 20 1 1 A 37 37 PHE CA C 37 56.300 55.703 0.597 1
1 371 . 20 1 1 A 37 37 PHE CB C 37 42.000 41.964 0.036 1
1 374 . 20 1 1 A 37 37 PHE N N 37 118.300 127.561 -9.261 1
1 375 . 20 1 1 A 38 38 GLY H H 38 8.340 7.903 0.437 1
1 376 . 20 1 1 A 38 38 GLY HA2 H 38 3.750 3.988 -0.238 1
1 377 . 20 1 1 A 38 38 GLY HA3 H 38 4.210 4.193 0.017 1
1 378 . 20 1 1 A 38 38 GLY CA C 38 45.600 45.390 0.210 1
1 379 . 20 1 1 A 38 38 GLY N N 38 109.300 111.495 -2.195 1
1 380 . 20 1 1 A 39 39 SER HA H 39 4.210 4.396 -0.186 1
1 383 . 20 1 1 A 39 39 SER C C 39 173.700 172.974 0.726 1
1 384 . 20 1 1 A 39 39 SER CA C 39 60.100 58.181 1.919 1
1 385 . 20 1 1 A 39 39 SER CB C 39 63.900 63.087 0.813 1
1 386 . 20 1 1 A 40 40 ASP H H 40 7.670 8.206 -0.536 1
1 387 . 20 1 1 A 40 40 ASP HA H 40 4.810 4.725 0.085 1
1 390 . 20 1 1 A 40 40 ASP C C 40 175.500 177.898 -2.398 1
1 391 . 20 1 1 A 40 40 ASP CA C 40 52.900 53.787 -0.887 1
1 392 . 20 1 1 A 40 40 ASP CB C 40 41.300 41.581 -0.281 1
1 393 . 20 1 1 A 40 40 ASP N N 40 115.800 122.310 -6.510 1
1 394 . 20 1 1 A 41 41 LYS H H 41 8.260 8.652 -0.392 1
1 395 . 20 1 1 A 41 41 LYS HA H 41 3.780 3.955 -0.175 1
1 404 . 20 1 1 A 41 41 LYS C C 41 177.100 178.070 -0.970 1
1 405 . 20 1 1 A 41 41 LYS CA C 41 60.500 59.497 1.003 1
1 406 . 20 1 1 A 41 41 LYS CB C 41 33.400 31.952 1.448 1
1 410 . 20 1 1 A 41 41 LYS N N 41 120.200 123.638 -3.438 1
1 411 . 20 1 1 A 42 42 ALA H H 42 8.420 8.008 0.412 1
1 412 . 20 1 1 A 42 42 ALA HA H 42 4.180 4.179 0.001 1
1 416 . 20 1 1 A 42 42 ALA C C 42 181.900 179.989 1.911 1
1 417 . 20 1 1 A 42 42 ALA CA C 42 55.400 55.163 0.237 1
1 418 . 20 1 1 A 42 42 ALA CB C 42 17.700 18.714 -1.014 1
1 419 . 20 1 1 A 42 42 ALA N N 42 120.700 121.793 -1.093 1
1 420 . 20 1 1 A 43 43 HIS H H 43 8.490 7.894 0.596 1
1 421 . 20 1 1 A 43 43 HIS HA H 43 4.330 4.346 -0.016 1
1 424 . 20 1 1 A 43 43 HIS C C 43 178.800 177.102 1.698 1
1 425 . 20 1 1 A 43 43 HIS CA C 43 59.600 59.794 -0.194 1
1 426 . 20 1 1 A 43 43 HIS CB C 43 30.300 30.420 -0.120 1
1 427 . 20 1 1 A 43 43 HIS N N 43 118.000 117.910 0.090 1
1 428 . 20 1 1 A 44 44 LEU H H 44 8.340 8.350 -0.010 1
1 429 . 20 1 1 A 44 44 LEU HA H 44 3.750 3.713 0.037 1
1 439 . 20 1 1 A 44 44 LEU C C 44 178.500 178.972 -0.472 1
1 440 . 20 1 1 A 44 44 LEU CA C 44 58.200 57.886 0.314 1
1 441 . 20 1 1 A 44 44 LEU CB C 44 42.100 41.342 0.758 1
1 445 . 20 1 1 A 44 44 LEU N N 44 121.500 119.288 2.212 1
1 446 . 20 1 1 A 45 45 GLU H H 45 8.880 8.913 -0.033 1
1 447 . 20 1 1 A 45 45 GLU HA H 45 3.750 4.027 -0.277 1
1 452 . 20 1 1 A 45 45 GLU C C 45 180.200 180.036 0.164 1
1 453 . 20 1 1 A 45 45 GLU CA C 45 60.000 59.452 0.548 1
1 454 . 20 1 1 A 45 45 GLU CB C 45 29.000 29.118 -0.118 1
1 456 . 20 1 1 A 45 45 GLU N N 45 118.300 118.041 0.259 1
1 457 . 20 1 1 A 46 46 GLY H H 46 7.970 8.107 -0.137 1
1 458 . 20 1 1 A 46 46 GLY HA2 H 46 3.920 3.627 0.293 1
1 459 . 20 1 1 A 46 46 GLY HA3 H 46 3.920 3.681 0.239 1
1 460 . 20 1 1 A 46 46 GLY C C 46 176.500 175.582 0.918 1
1 461 . 20 1 1 A 46 46 GLY CA C 46 46.900 47.306 -0.406 1
1 462 . 20 1 1 A 46 46 GLY N N 46 108.100 109.697 -1.597 1
1 463 . 20 1 1 A 47 47 LYS H H 47 7.690 7.558 0.132 1
1 464 . 20 1 1 A 47 47 LYS HA H 47 4.320 3.993 0.327 1
1 473 . 20 1 1 A 47 47 LYS C C 47 179.400 179.489 -0.089 1
1 474 . 20 1 1 A 47 47 LYS CA C 47 58.400 59.321 -0.921 1
1 475 . 20 1 1 A 47 47 LYS CB C 47 32.100 32.183 -0.083 1
1 479 . 20 1 1 A 47 47 LYS N N 47 122.400 122.142 0.258 1
1 480 . 20 1 1 A 48 48 LEU H H 48 8.550 8.422 0.128 1
1 481 . 20 1 1 A 48 48 LEU HA H 48 3.980 4.119 -0.139 1
1 491 . 20 1 1 A 48 48 LEU C C 48 178.300 178.921 -0.621 1
1 492 . 20 1 1 A 48 48 LEU CA C 48 57.900 57.895 0.005 1
1 493 . 20 1 1 A 48 48 LEU CB C 48 40.800 41.486 -0.686 1
1 497 . 20 1 1 A 48 48 LEU N N 48 120.600 121.483 -0.883 1
1 498 . 20 1 1 A 49 49 ALA H H 49 7.810 8.138 -0.328 1
1 499 . 20 1 1 A 49 49 ALA HA H 49 4.000 3.965 0.035 1
1 503 . 20 1 1 A 49 49 ALA C C 49 180.400 180.128 0.272 1
1 504 . 20 1 1 A 49 49 ALA CA C 49 55.600 55.380 0.220 1
1 505 . 20 1 1 A 49 49 ALA CB C 49 17.900 18.185 -0.285 1
1 506 . 20 1 1 A 49 49 ALA N N 49 120.000 120.604 -0.604 1
1 507 . 20 1 1 A 50 50 GLU H H 50 7.520 8.236 -0.716 1
1 508 . 20 1 1 A 50 50 GLU HA H 50 4.130 4.002 0.128 1
1 513 . 20 1 1 A 50 50 GLU C C 50 179.600 179.205 0.395 1
1 514 . 20 1 1 A 50 50 GLU CA C 50 59.200 58.982 0.218 1
1 515 . 20 1 1 A 50 50 GLU CB C 50 29.800 29.293 0.507 1
1 517 . 20 1 1 A 50 50 GLU N N 50 117.300 119.082 -1.782 1
1 518 . 20 1 1 A 51 51 TYR H H 51 7.860 7.786 0.074 1
1 519 . 20 1 1 A 51 51 TYR HA H 51 3.900 4.308 -0.408 1
1 526 . 20 1 1 A 51 51 TYR C C 51 177.900 178.381 -0.481 1
1 527 . 20 1 1 A 51 51 TYR CA C 51 62.400 60.833 1.567 1
1 528 . 20 1 1 A 51 51 TYR CB C 51 38.200 38.309 -0.109 1
1 533 . 20 1 1 A 51 51 TYR N N 51 120.300 119.722 0.578 1
1 534 . 20 1 1 A 52 52 ILE H H 52 8.590 8.274 0.316 1
1 535 . 20 1 1 A 52 52 ILE HA H 52 3.420 3.591 -0.171 1
1 545 . 20 1 1 A 52 52 ILE C C 52 177.400 178.048 -0.648 1
1 546 . 20 1 1 A 52 52 ILE CA C 52 66.200 65.171 1.029 1
1 547 . 20 1 1 A 52 52 ILE CB C 52 38.200 38.031 0.169 1
1 551 . 20 1 1 A 52 52 ILE N N 52 120.100 120.741 -0.641 1
1 552 . 20 1 1 A 53 53 SER H H 53 7.860 8.094 -0.234 1
1 553 . 20 1 1 A 53 53 SER HA H 53 4.080 4.045 0.035 1
1 556 . 20 1 1 A 53 53 SER C C 53 177.700 176.009 1.691 1
1 557 . 20 1 1 A 53 53 SER CA C 53 61.800 62.408 -0.608 1
1 558 . 20 1 1 A 53 53 SER CB C 53 62.600 62.897 -0.297 1
1 559 . 20 1 1 A 53 53 SER N N 53 113.100 116.073 -2.973 1
1 560 . 20 1 1 A 54 54 LEU H H 54 7.610 8.050 -0.440 1
1 561 . 20 1 1 A 54 54 LEU HA H 54 4.090 4.068 0.022 1
1 571 . 20 1 1 A 54 54 LEU C C 54 178.600 178.496 0.104 1
1 572 . 20 1 1 A 54 54 LEU CA C 54 58.000 57.812 0.188 1
1 573 . 20 1 1 A 54 54 LEU CB C 54 42.200 41.465 0.735 1
1 577 . 20 1 1 A 54 54 LEU N N 54 121.200 122.903 -1.703 1
1 578 . 20 1 1 A 55 55 ALA H H 55 8.640 8.327 0.313 1
1 579 . 20 1 1 A 55 55 ALA HA H 55 3.860 4.012 -0.152 1
1 583 . 20 1 1 A 55 55 ALA C C 55 179.100 179.657 -0.557 1
1 584 . 20 1 1 A 55 55 ALA CA C 55 56.200 55.620 0.580 1
1 585 . 20 1 1 A 55 55 ALA CB C 55 19.000 18.384 0.616 1
1 586 . 20 1 1 A 55 55 ALA N N 55 121.900 120.845 1.055 1
1 587 . 20 1 1 A 56 56 LYS H H 56 8.120 7.814 0.306 1
1 588 . 20 1 1 A 56 56 LYS HA H 56 4.220 4.141 0.079 1
1 597 . 20 1 1 A 56 56 LYS C C 56 178.800 178.894 -0.094 1
1 598 . 20 1 1 A 56 56 LYS CA C 56 58.300 59.540 -1.240 1
1 599 . 20 1 1 A 56 56 LYS CB C 56 32.900 32.167 0.733 1
1 603 . 20 1 1 A 56 56 LYS N N 56 115.600 117.360 -1.760 1
1 604 . 20 1 1 A 57 57 GLN H H 57 7.590 7.712 -0.122 1
1 605 . 20 1 1 A 57 57 GLN HA H 57 4.010 4.120 -0.110 1
1 612 . 20 1 1 A 57 57 GLN C C 57 178.300 178.606 -0.306 1
1 613 . 20 1 1 A 57 57 GLN CA C 57 58.400 58.795 -0.395 1
1 614 . 20 1 1 A 57 57 GLN CB C 57 28.600 28.338 0.262 1
1 617 . 20 1 1 A 57 57 GLN N N 57 117.900 119.619 -1.719 1
1 619 . 20 1 1 A 58 58 VAL H H 58 7.650 7.802 -0.152 1
1 620 . 20 1 1 A 58 58 VAL HA H 58 3.750 3.778 -0.028 1
1 628 . 20 1 1 A 58 58 VAL C C 58 176.400 176.182 0.218 1
1 629 . 20 1 1 A 58 58 VAL CA C 58 65.500 65.917 -0.417 1
1 630 . 20 1 1 A 58 58 VAL CB C 58 32.000 32.147 -0.147 1
1 633 . 20 1 1 A 58 58 VAL N N 58 120.200 120.153 0.047 1
1 634 . 20 1 1 A 59 59 TYR H H 59 8.700 7.930 0.770 1
1 635 . 20 1 1 A 59 59 TYR HA H 59 5.040 4.883 0.157 1
1 642 . 20 1 1 A 59 59 TYR C C 59 174.100 173.993 0.107 1
1 643 . 20 1 1 A 59 59 TYR CA C 59 55.500 57.197 -1.697 1
1 644 . 20 1 1 A 59 59 TYR CB C 59 40.500 41.678 -1.178 1
1 649 . 20 1 1 A 59 59 TYR N N 59 120.400 119.916 0.484 1
1 650 . 20 1 1 A 60 60 ALA H H 60 8.900 8.301 0.599 1
1 651 . 20 1 1 A 60 60 ALA HA H 60 4.230 4.016 0.214 1
1 655 . 20 1 1 A 60 60 ALA CA C 60 55.400 52.243 3.157 1
1 656 . 20 1 1 A 60 60 ALA CB C 60 18.100 19.126 -1.026 1
1 657 . 20 1 1 A 60 60 ALA N N 60 131.000 129.604 1.396 1
1 658 . 20 1 1 A 61 61 ASN H H 61 5.430 8.941 -3.511 1
1 659 . 20 1 1 A 61 61 ASN HA H 61 4.760 4.241 0.519 1
1 664 . 20 1 1 A 61 61 ASN C C 61 173.200 174.946 -1.746 1
1 665 . 20 1 1 A 61 61 ASN CA C 61 51.800 53.862 -2.062 1
1 666 . 20 1 1 A 61 61 ASN CB C 61 37.600 37.300 0.300 1
1 668 . 20 1 1 A 61 61 ASN N N 61 111.100 118.438 -7.338 1
1 670 . 20 1 1 A 62 62 VAL H H 62 6.870 7.794 -0.924 1
1 671 . 20 1 1 A 62 62 VAL HA H 62 3.730 4.395 -0.665 1
1 679 . 20 1 1 A 62 62 VAL C C 62 172.400 175.143 -2.743 1
1 680 . 20 1 1 A 62 62 VAL CA C 62 62.500 62.393 0.107 1
1 681 . 20 1 1 A 62 62 VAL CB C 62 31.300 32.640 -1.340 1
1 684 . 20 1 1 A 62 62 VAL N N 62 120.400 119.420 0.980 1
1 685 . 20 1 1 A 63 63 GLU H H 63 7.360 8.478 -1.118 1
1 686 . 20 1 1 A 63 63 GLU HA H 63 4.590 4.924 -0.334 1
1 691 . 20 1 1 A 63 63 GLU C C 63 174.500 175.467 -0.967 1
1 692 . 20 1 1 A 63 63 GLU CA C 63 54.000 54.978 -0.978 1
1 693 . 20 1 1 A 63 63 GLU CB C 63 32.700 32.339 0.361 1
1 695 . 20 1 1 A 63 63 GLU N N 63 126.500 126.990 -0.490 1
1 696 . 20 1 1 A 64 64 TYR H H 64 8.300 8.325 -0.025 1
1 697 . 20 1 1 A 64 64 TYR HA H 64 5.400 5.012 0.388 1
1 704 . 20 1 1 A 64 64 TYR C C 64 173.400 172.788 0.612 1
1 705 . 20 1 1 A 64 64 TYR CA C 64 54.800 55.704 -0.904 1
1 706 . 20 1 1 A 64 64 TYR CB C 64 41.800 41.160 0.640 1
1 711 . 20 1 1 A 64 64 TYR N N 64 118.800 119.366 -0.566 1
1 712 . 20 1 1 A 65 65 GLU H H 65 8.470 8.433 0.037 1
1 713 . 20 1 1 A 65 65 GLU HA H 65 4.440 4.874 -0.434 1
1 718 . 20 1 1 A 65 65 GLU C C 65 173.800 174.848 -1.048 1
1 719 . 20 1 1 A 65 65 GLU CA C 65 54.600 54.896 -0.296 1
1 720 . 20 1 1 A 65 65 GLU CB C 65 35.000 34.414 0.586 1
1 722 . 20 1 1 A 65 65 GLU N N 65 121.300 119.318 1.982 1
1 723 . 20 1 1 A 66 66 VAL H H 66 8.780 8.705 0.075 1
1 724 . 20 1 1 A 66 66 VAL HA H 66 4.600 4.694 -0.094 1
1 732 . 20 1 1 A 66 66 VAL C C 66 175.900 175.652 0.248 1
1 733 . 20 1 1 A 66 66 VAL CA C 66 60.800 60.724 0.076 1
1 734 . 20 1 1 A 66 66 VAL CB C 66 33.800 34.442 -0.642 1
1 737 . 20 1 1 A 66 66 VAL N N 66 126.000 122.584 3.416 1
1 738 . 20 1 1 A 67 67 ALA H H 67 8.400 8.506 -0.106 1
1 739 . 20 1 1 A 67 67 ALA HA H 67 4.390 4.785 -0.395 1
1 743 . 20 1 1 A 67 67 ALA CA C 67 51.100 51.127 -0.027 1
1 744 . 20 1 1 A 67 67 ALA CB C 67 16.800 18.574 -1.774 1
1 745 . 20 1 1 A 67 67 ALA N N 67 132.400 130.501 1.899 1
1 746 . 20 1 1 A 68 68 PRO HA H 68 4.260 4.586 -0.326 1
1 753 . 20 1 1 A 68 68 PRO C C 68 176.400 175.905 0.495 1
1 754 . 20 1 1 A 68 68 PRO CA C 68 63.800 62.945 0.855 1
1 755 . 20 1 1 A 68 68 PRO CB C 68 31.800 32.574 -0.774 1
1 758 . 20 1 1 A 69 69 VAL H H 69 8.240 8.560 -0.320 1
1 759 . 20 1 1 A 69 69 VAL HA H 69 4.360 4.620 -0.260 1
1 767 . 20 1 1 A 69 69 VAL C C 69 175.500 176.016 -0.516 1
1 768 . 20 1 1 A 69 69 VAL CA C 69 60.500 60.782 -0.282 1
1 769 . 20 1 1 A 69 69 VAL CB C 69 34.200 34.925 -0.725 1
1 772 . 20 1 1 A 69 69 VAL N N 69 121.600 122.716 -1.116 1
1 773 . 20 1 1 A 70 70 ALA H H 70 8.630 8.475 0.155 1
1 774 . 20 1 1 A 70 70 ALA HA H 70 4.370 4.478 -0.108 1
1 778 . 20 1 1 A 70 70 ALA C C 70 178.100 177.454 0.646 1
1 779 . 20 1 1 A 70 70 ALA CA C 70 51.700 51.894 -0.194 1
1 780 . 20 1 1 A 70 70 ALA CB C 70 19.700 18.151 1.549 1
1 781 . 20 1 1 A 70 70 ALA N N 70 128.800 129.864 -1.064 1
1 782 . 20 1 1 A 71 71 ASP H H 71 8.640 8.341 0.299 1
1 783 . 20 1 1 A 71 71 ASP HA H 71 4.330 4.484 -0.154 1
1 786 . 20 1 1 A 71 71 ASP C C 71 177.000 176.522 0.478 1
1 787 . 20 1 1 A 71 71 ASP CA C 71 57.300 56.821 0.479 1
1 788 . 20 1 1 A 71 71 ASP CB C 71 40.300 40.320 -0.020 1
1 789 . 20 1 1 A 71 71 ASP N N 71 118.900 116.790 2.110 1
1 790 . 20 1 1 A 72 72 ASN H H 72 8.100 9.266 -1.166 1
1 791 . 20 1 1 A 72 72 ASN HA H 72 4.810 4.668 0.142 1
1 796 . 20 1 1 A 72 72 ASN C C 72 175.300 175.981 -0.681 1
1 797 . 20 1 1 A 72 72 ASN CA C 72 51.900 53.855 -1.955 1
1 798 . 20 1 1 A 72 72 ASN CB C 72 37.400 38.564 -1.164 1
1 800 . 20 1 1 A 72 72 ASN N N 72 114.800 117.225 -2.425 1
1 802 . 20 1 1 A 73 73 ALA H H 73 7.580 7.371 0.209 1
1 803 . 20 1 1 A 73 73 ALA HA H 73 4.230 4.163 0.067 1
1 807 . 20 1 1 A 73 73 ALA C C 73 176.300 178.440 -2.140 1
1 808 . 20 1 1 A 73 73 ALA CA C 73 53.200 52.877 0.323 1
1 809 . 20 1 1 A 73 73 ALA CB C 73 21.000 19.455 1.545 1
1 810 . 20 1 1 A 73 73 ALA N N 73 123.400 122.547 0.853 1
1 811 . 20 1 1 A 74 74 THR H H 74 8.220 8.807 -0.587 1
1 812 . 20 1 1 A 74 74 THR HA H 74 4.560 4.424 0.136 1
1 817 . 20 1 1 A 74 74 THR C C 74 174.100 173.571 0.529 1
1 818 . 20 1 1 A 74 74 THR CA C 74 60.200 61.928 -1.728 1
1 819 . 20 1 1 A 74 74 THR CB C 74 69.900 69.540 0.360 1
1 821 . 20 1 1 A 74 74 THR N N 74 104.600 112.158 -7.558 1
1 822 . 20 1 1 A 75 75 GLU H H 75 7.310 7.946 -0.636 1
1 823 . 20 1 1 A 75 75 GLU HA H 75 5.190 5.040 0.150 1
1 828 . 20 1 1 A 75 75 GLU C C 75 173.600 173.801 -0.201 1
1 829 . 20 1 1 A 75 75 GLU CA C 75 54.100 54.914 -0.814 1
1 830 . 20 1 1 A 75 75 GLU CB C 75 34.100 32.849 1.251 1
1 832 . 20 1 1 A 75 75 GLU N N 75 119.100 119.338 -0.238 1
1 833 . 20 1 1 A 76 76 LEU H H 76 8.400 8.957 -0.557 1
1 834 . 20 1 1 A 76 76 LEU HA H 76 4.650 5.221 -0.571 1
1 844 . 20 1 1 A 76 76 LEU C C 76 174.100 174.032 0.068 1
1 845 . 20 1 1 A 76 76 LEU CA C 76 54.200 53.235 0.965 1
1 846 . 20 1 1 A 76 76 LEU CB C 76 47.400 46.026 1.374 1
1 850 . 20 1 1 A 76 76 LEU N N 76 122.600 123.453 -0.853 1
1 851 . 20 1 1 A 77 77 HIS H H 77 9.340 8.905 0.435 1
1 852 . 20 1 1 A 77 77 HIS HA H 77 5.440 5.122 0.318 1
1 855 . 20 1 1 A 77 77 HIS C C 77 172.700 174.561 -1.861 1
1 856 . 20 1 1 A 77 77 HIS CA C 77 54.400 54.849 -0.449 1
1 857 . 20 1 1 A 77 77 HIS CB C 77 31.700 31.567 0.133 1
1 858 . 20 1 1 A 77 77 HIS N N 77 123.500 124.782 -1.282 1
1 859 . 20 1 1 A 78 78 ALA H H 78 9.190 8.598 0.592 1
1 860 . 20 1 1 A 78 78 ALA HA H 78 5.620 5.026 0.594 1
1 864 . 20 1 1 A 78 78 ALA C C 78 175.600 175.265 0.335 1
1 865 . 20 1 1 A 78 78 ALA CA C 78 50.300 50.924 -0.624 1
1 866 . 20 1 1 A 78 78 ALA CB C 78 24.100 23.736 0.364 1
1 867 . 20 1 1 A 78 78 ALA N N 78 124.800 123.632 1.168 1
1 868 . 20 1 1 A 79 79 ARG H H 79 8.680 8.130 0.550 1
1 869 . 20 1 1 A 79 79 ARG HA H 79 5.230 5.450 -0.220 1
1 874 . 20 1 1 A 79 79 ARG C C 79 173.900 174.775 -0.875 1
1 875 . 20 1 1 A 79 79 ARG CA C 79 55.300 54.364 0.936 1
1 876 . 20 1 1 A 79 79 ARG CB C 79 34.400 34.029 0.371 1
1 879 . 20 1 1 A 79 79 ARG N N 79 119.100 118.883 0.217 1
1 880 . 20 1 1 A 80 80 PHE H H 80 8.970 9.342 -0.372 1
1 881 . 20 1 1 A 80 80 PHE HA H 80 4.720 4.932 -0.212 1
1 889 . 20 1 1 A 80 80 PHE C C 80 172.700 173.774 -1.074 1
1 890 . 20 1 1 A 80 80 PHE CA C 80 56.300 56.145 0.155 1
1 891 . 20 1 1 A 80 80 PHE CB C 80 42.600 43.083 -0.483 1
1 897 . 20 1 1 A 80 80 PHE N N 80 119.200 121.246 -2.046 1
1 898 . 20 1 1 A 81 81 LYS H H 81 9.350 8.631 0.719 1
1 899 . 20 1 1 A 81 81 LYS HA H 81 4.800 4.867 -0.067 1
1 908 . 20 1 1 A 81 81 LYS C C 81 174.500 174.666 -0.166 1
1 909 . 20 1 1 A 81 81 LYS CA C 81 55.600 54.617 0.983 1
1 910 . 20 1 1 A 81 81 LYS CB C 81 35.200 35.346 -0.146 1
1 914 . 20 1 1 A 81 81 LYS N N 81 124.500 122.644 1.856 1
1 915 . 20 1 1 A 82 82 PHE H H 82 8.840 8.702 0.138 1
1 916 . 20 1 1 A 82 82 PHE HA H 82 4.550 4.654 -0.104 1
1 924 . 20 1 1 A 82 82 PHE C C 82 173.200 175.908 -2.708 1
1 925 . 20 1 1 A 82 82 PHE CA C 82 57.800 56.058 1.742 1
1 926 . 20 1 1 A 82 82 PHE CB C 82 40.100 42.406 -2.306 1
1 932 . 20 1 1 A 82 82 PHE N N 82 127.900 124.927 2.973 1
1 933 . 20 1 1 A 83 83 GLU H H 83 7.590 8.390 -0.800 1
1 934 . 20 1 1 A 83 83 GLU HA H 83 4.120 4.159 -0.039 1
1 939 . 20 1 1 A 83 83 GLU C C 83 177.500 176.480 1.020 1
1 940 . 20 1 1 A 83 83 GLU CA C 83 58.900 58.756 0.144 1
1 941 . 20 1 1 A 83 83 GLU CB C 83 29.900 30.692 -0.792 1
1 943 . 20 1 1 A 83 83 GLU N N 83 119.400 121.451 -2.051 1
1 944 . 20 1 1 A 84 84 VAL H H 84 7.470 7.465 0.005 1
1 945 . 20 1 1 A 84 84 VAL HA H 84 4.770 4.598 0.172 1
1 953 . 20 1 1 A 84 84 VAL C C 84 177.100 175.909 1.191 1
1 954 . 20 1 1 A 84 84 VAL CA C 84 58.500 58.806 -0.306 1
1 955 . 20 1 1 A 84 84 VAL CB C 84 36.000 35.024 0.976 1
1 958 . 20 1 1 A 84 84 VAL N N 84 108.000 116.344 -8.344 1
1 959 . 20 1 1 A 85 85 SER H H 85 8.980 9.021 -0.041 1
1 960 . 20 1 1 A 85 85 SER HA H 85 4.160 4.094 0.066 1
1 963 . 20 1 1 A 85 85 SER C C 85 176.900 176.516 0.384 1
1 964 . 20 1 1 A 85 85 SER CA C 85 61.200 61.455 -0.255 1
1 965 . 20 1 1 A 85 85 SER CB C 85 62.600 62.490 0.110 1
1 966 . 20 1 1 A 85 85 SER N N 85 120.300 119.515 0.785 1
1 967 . 20 1 1 A 86 86 ALA H H 86 8.370 8.271 0.099 1
1 968 . 20 1 1 A 86 86 ALA HA H 86 4.000 4.081 -0.081 1
1 972 . 20 1 1 A 86 86 ALA C C 86 180.500 180.006 0.494 1
1 973 . 20 1 1 A 86 86 ALA CA C 86 55.600 55.486 0.114 1
1 974 . 20 1 1 A 86 86 ALA CB C 86 18.500 18.785 -0.285 1
1 975 . 20 1 1 A 86 86 ALA N N 86 121.800 122.600 -0.800 1
1 976 . 20 1 1 A 87 87 GLU H H 87 6.920 8.014 -1.094 1
1 977 . 20 1 1 A 87 87 GLU HA H 87 3.640 3.839 -0.199 1
1 982 . 20 1 1 A 87 87 GLU C C 87 176.700 178.690 -1.990 1
1 983 . 20 1 1 A 87 87 GLU CA C 87 58.000 58.978 -0.978 1
1 984 . 20 1 1 A 87 87 GLU CB C 87 29.300 28.881 0.419 1
1 986 . 20 1 1 A 87 87 GLU N N 87 114.800 117.624 -2.824 1
1 987 . 20 1 1 A 88 88 LYS H H 88 6.520 8.221 -1.701 1
1 988 . 20 1 1 A 88 88 LYS HA H 88 3.140 3.907 -0.767 1
1 997 . 20 1 1 A 88 88 LYS C C 88 178.100 178.955 -0.855 1
1 998 . 20 1 1 A 88 88 LYS CA C 88 59.700 59.181 0.519 1
1 999 . 20 1 1 A 88 88 LYS CB C 88 32.300 32.189 0.111 1
1 1003 . 20 1 1 A 88 88 LYS N N 88 119.900 121.371 -1.471 1
1 1004 . 20 1 1 A 89 89 LEU H H 89 7.920 7.719 0.201 1
1 1005 . 20 1 1 A 89 89 LEU HA H 89 4.080 4.041 0.039 1
1 1015 . 20 1 1 A 89 89 LEU C C 89 179.900 179.342 0.558 1
1 1016 . 20 1 1 A 89 89 LEU CA C 89 58.000 57.936 0.064 1
1 1017 . 20 1 1 A 89 89 LEU CB C 89 41.500 41.776 -0.276 1
1 1021 . 20 1 1 A 89 89 LEU N N 89 118.200 118.825 -0.625 1
1 1022 . 20 1 1 A 90 90 ILE H H 90 7.570 7.658 -0.088 1
1 1023 . 20 1 1 A 90 90 ILE HA H 90 3.710 3.579 0.131 1
1 1033 . 20 1 1 A 90 90 ILE C C 90 178.000 178.297 -0.297 1
1 1034 . 20 1 1 A 90 90 ILE CA C 90 64.700 64.869 -0.169 1
1 1035 . 20 1 1 A 90 90 ILE CB C 90 37.600 37.701 -0.101 1
1 1039 . 20 1 1 A 90 90 ILE N N 90 120.400 119.140 1.260 1
1 1040 . 20 1 1 A 91 91 PHE H H 91 8.180 8.815 -0.635 1
1 1041 . 20 1 1 A 91 91 PHE HA H 91 3.920 3.861 0.059 1
1 1049 . 20 1 1 A 91 91 PHE C C 91 177.200 177.926 -0.726 1
1 1050 . 20 1 1 A 91 91 PHE CA C 91 61.600 61.605 -0.005 1
1 1051 . 20 1 1 A 91 91 PHE CB C 91 39.600 39.048 0.552 1
1 1057 . 20 1 1 A 91 91 PHE N N 91 120.100 120.034 0.066 1
1 1058 . 20 1 1 A 92 92 GLU H H 92 8.470 8.421 0.049 1
1 1059 . 20 1 1 A 92 92 GLU HA H 92 3.620 4.168 -0.548 1
1 1064 . 20 1 1 A 92 92 GLU C C 92 179.100 178.989 0.111 1
1 1065 . 20 1 1 A 92 92 GLU CA C 92 60.100 58.744 1.356 1
1 1066 . 20 1 1 A 92 92 GLU CB C 92 29.300 29.519 -0.219 1
1 1068 . 20 1 1 A 92 92 GLU N N 92 118.800 117.581 1.219 1
1 1069 . 20 1 1 A 93 93 LEU H H 93 7.980 8.082 -0.102 1
1 1070 . 20 1 1 A 93 93 LEU HA H 93 4.000 3.930 0.070 1
1 1080 . 20 1 1 A 93 93 LEU C C 93 180.600 178.353 2.247 1
1 1081 . 20 1 1 A 93 93 LEU CA C 93 58.300 58.008 0.292 1
1 1082 . 20 1 1 A 93 93 LEU CB C 93 41.700 41.690 0.010 1
1 1086 . 20 1 1 A 93 93 LEU N N 93 120.800 121.121 -0.321 1
1 1087 . 20 1 1 A 94 94 LYS H H 94 8.340 8.011 0.329 1
1 1088 . 20 1 1 A 94 94 LYS HA H 94 3.990 3.808 0.182 1
1 1097 . 20 1 1 A 94 94 LYS C C 94 179.600 179.159 0.441 1
1 1098 . 20 1 1 A 94 94 LYS CA C 94 59.200 59.220 -0.020 1
1 1099 . 20 1 1 A 94 94 LYS CB C 94 33.100 32.074 1.026 1
1 1103 . 20 1 1 A 94 94 LYS N N 94 119.300 118.574 0.726 1
1 1104 . 20 1 1 A 95 95 THR H H 95 8.100 7.843 0.257 1
1 1105 . 20 1 1 A 95 95 THR HA H 95 3.640 3.690 -0.050 1
1 1110 . 20 1 1 A 95 95 THR C C 95 176.800 176.811 -0.011 1
1 1111 . 20 1 1 A 95 95 THR CA C 95 63.800 65.668 -1.868 1
1 1112 . 20 1 1 A 95 95 THR CB C 95 68.900 68.188 0.712 1
1 1114 . 20 1 1 A 95 95 THR N N 95 109.700 112.208 -2.508 1
1 1115 . 20 1 1 A 96 96 ARG H H 96 7.570 8.359 -0.789 1
1 1116 . 20 1 1 A 96 96 ARG HA H 96 4.060 4.006 0.054 1
1 1124 . 20 1 1 A 96 96 ARG C C 96 178.300 178.730 -0.430 1
1 1125 . 20 1 1 A 96 96 ARG CA C 96 59.500 59.864 -0.364 1
1 1126 . 20 1 1 A 96 96 ARG CB C 96 29.800 29.885 -0.085 1
1 1130 . 20 1 1 A 96 96 ARG N N 96 123.200 121.681 1.519 1
1 1132 . 20 1 1 A 97 97 ALA H H 97 7.520 7.853 -0.333 1
1 1133 . 20 1 1 A 97 97 ALA HA H 97 4.130 3.927 0.203 1
1 1137 . 20 1 1 A 97 97 ALA C C 97 179.500 180.190 -0.690 1
1 1138 . 20 1 1 A 97 97 ALA CA C 97 54.100 54.811 -0.711 1
1 1139 . 20 1 1 A 97 97 ALA CB C 97 18.200 17.690 0.510 1
1 1140 . 20 1 1 A 97 97 ALA N N 97 119.700 121.820 -2.120 1
1 1141 . 20 1 1 A 98 98 LEU H H 98 7.370 8.316 -0.946 1
1 1142 . 20 1 1 A 98 98 LEU HA H 98 4.070 3.943 0.127 1
1 1152 . 20 1 1 A 98 98 LEU C C 98 178.800 178.405 0.395 1
1 1153 . 20 1 1 A 98 98 LEU CA C 98 56.500 57.933 -1.433 1
1 1154 . 20 1 1 A 98 98 LEU CB C 98 41.700 41.181 0.519 1
1 1158 . 20 1 1 A 98 98 LEU N N 98 118.300 120.695 -2.395 1
1 1159 . 20 1 1 A 99 99 ALA H H 99 7.940 8.561 -0.621 1
1 1160 . 20 1 1 A 99 99 ALA HA H 99 4.250 4.221 0.029 1
1 1164 . 20 1 1 A 99 99 ALA C C 99 179.100 178.767 0.333 1
1 1165 . 20 1 1 A 99 99 ALA CA C 99 53.600 55.142 -1.542 1
1 1166 . 20 1 1 A 99 99 ALA CB C 99 18.600 18.184 0.416 1
1 1167 . 20 1 1 A 99 99 ALA N N 99 122.100 120.636 1.464 1
1 1168 . 20 1 1 A 100 100 ARG H H 100 7.840 7.494 0.346 1
1 1169 . 20 1 1 A 100 100 ARG HA H 100 4.210 4.355 -0.145 1
1 1176 . 20 1 1 A 100 100 ARG C C 100 177.100 176.897 0.203 1
1 1177 . 20 1 1 A 100 100 ARG CA C 100 57.100 56.002 1.098 1
1 1178 . 20 1 1 A 100 100 ARG CB C 100 30.300 30.818 -0.518 1
1 1181 . 20 1 1 A 100 100 ARG N N 100 117.900 114.861 3.039 1
1 1182 . 20 1 1 A 101 101 LEU H H 101 7.890 7.887 0.003 1
1 1183 . 20 1 1 A 101 101 LEU HA H 101 4.240 4.262 -0.022 1
1 1193 . 20 1 1 A 101 101 LEU C C 101 177.800 176.215 1.585 1
1 1194 . 20 1 1 A 101 101 LEU CA C 101 55.700 56.810 -1.110 1
1 1195 . 20 1 1 A 101 101 LEU CB C 101 41.900 40.800 1.100 1
1 1199 . 20 1 1 A 101 101 LEU N N 101 120.800 118.687 2.113 1
1 1200 . 20 1 1 A 102 102 GLU H H 102 8.040 8.926 -0.886 1
1 1201 . 20 1 1 A 102 102 GLU HA H 102 4.240 3.780 0.460 1
1 1206 . 20 1 1 A 102 102 GLU C C 102 176.500 176.136 0.364 1
1 1207 . 20 1 1 A 102 102 GLU CA C 102 56.600 57.105 -0.505 1
1 1208 . 20 1 1 A 102 102 GLU CB C 102 30.000 28.384 1.616 1
1 1210 . 20 1 1 A 102 102 GLU N N 102 120.100 122.778 -2.678 1
1 1211 . 20 1 1 A 103 103 HIS H H 103 8.200 7.864 0.336 1
1 1212 . 20 1 1 A 103 103 HIS HA H 103 4.540 4.767 -0.227 1
1 1216 . 20 1 1 A 103 103 HIS CA C 103 56.100 54.639 1.461 1
1 1217 . 20 1 1 A 103 103 HIS CB C 103 29.900 30.992 -1.092 1
1 1218 . 20 1 1 A 103 103 HIS N N 103 119.200 126.280 -7.080 1
1 1219 . 20 1 1 A 107 107 HIS HA H 107 4.560 3.955 0.605 1
1 1222 . 20 1 1 A 107 107 HIS C C 107 173.800 175.168 -1.368 1
1 1223 . 20 1 1 A 107 107 HIS CA C 107 55.800 58.925 -3.125 1
1 1224 . 20 1 1 A 107 107 HIS CB C 107 29.900 30.027 -0.127 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 95 0.964 1
2 1 1 1 "RMS(OBS, PRED)" CA 101 1.128 1
3 1 1 1 "RMS(OBS, PRED)" CB 95 1.071 1
4 1 1 1 "RMS(OBS, PRED)" H 96 0.591 1
5 1 1 1 "RMS(OBS, PRED)" HA 107 0.290 1
6 1 1 1 "RMS(OBS, PRED)" N 96 2.832 1
7 1 2 1 "RMS(OBS, PRED)" C 95 1.045 1
8 1 2 1 "RMS(OBS, PRED)" CA 101 1.247 1
9 1 2 1 "RMS(OBS, PRED)" CB 95 1.042 1
10 1 2 1 "RMS(OBS, PRED)" H 96 0.629 1
11 1 2 1 "RMS(OBS, PRED)" HA 107 0.272 1
12 1 2 1 "RMS(OBS, PRED)" N 96 2.944 1
13 1 3 1 "RMS(OBS, PRED)" C 95 0.997 1
14 1 3 1 "RMS(OBS, PRED)" CA 101 1.193 1
15 1 3 1 "RMS(OBS, PRED)" CB 95 0.919 1
16 1 3 1 "RMS(OBS, PRED)" H 96 0.631 1
17 1 3 1 "RMS(OBS, PRED)" HA 107 0.318 1
18 1 3 1 "RMS(OBS, PRED)" N 96 3.215 1
19 1 4 1 "RMS(OBS, PRED)" C 95 1.046 1
20 1 4 1 "RMS(OBS, PRED)" CA 101 0.976 1
21 1 4 1 "RMS(OBS, PRED)" CB 95 0.891 1
22 1 4 1 "RMS(OBS, PRED)" H 96 0.613 1
23 1 4 1 "RMS(OBS, PRED)" HA 107 0.245 1
24 1 4 1 "RMS(OBS, PRED)" N 96 2.776 1
25 1 5 1 "RMS(OBS, PRED)" C 95 0.970 1
26 1 5 1 "RMS(OBS, PRED)" CA 101 0.955 1
27 1 5 1 "RMS(OBS, PRED)" CB 95 1.144 1
28 1 5 1 "RMS(OBS, PRED)" H 96 0.545 1
29 1 5 1 "RMS(OBS, PRED)" HA 107 0.287 1
30 1 5 1 "RMS(OBS, PRED)" N 96 3.039 1
31 1 6 1 "RMS(OBS, PRED)" C 95 0.962 1
32 1 6 1 "RMS(OBS, PRED)" CA 101 1.025 1
33 1 6 1 "RMS(OBS, PRED)" CB 95 1.049 1
34 1 6 1 "RMS(OBS, PRED)" H 96 0.638 1
35 1 6 1 "RMS(OBS, PRED)" HA 107 0.279 1
36 1 6 1 "RMS(OBS, PRED)" N 96 2.937 1
37 1 7 1 "RMS(OBS, PRED)" C 95 1.023 1
38 1 7 1 "RMS(OBS, PRED)" CA 101 1.182 1
39 1 7 1 "RMS(OBS, PRED)" CB 95 1.075 1
40 1 7 1 "RMS(OBS, PRED)" H 96 0.624 1
41 1 7 1 "RMS(OBS, PRED)" HA 107 0.289 1
42 1 7 1 "RMS(OBS, PRED)" N 96 3.044 1
43 1 8 1 "RMS(OBS, PRED)" C 95 1.006 1
44 1 8 1 "RMS(OBS, PRED)" CA 101 1.302 1
45 1 8 1 "RMS(OBS, PRED)" CB 95 1.062 1
46 1 8 1 "RMS(OBS, PRED)" H 96 0.595 1
47 1 8 1 "RMS(OBS, PRED)" HA 107 0.272 1
48 1 8 1 "RMS(OBS, PRED)" N 96 2.687 1
49 1 9 1 "RMS(OBS, PRED)" C 95 1.024 1
50 1 9 1 "RMS(OBS, PRED)" CA 101 1.116 1
51 1 9 1 "RMS(OBS, PRED)" CB 95 1.108 1
52 1 9 1 "RMS(OBS, PRED)" H 96 0.579 1
53 1 9 1 "RMS(OBS, PRED)" HA 107 0.286 1
54 1 9 1 "RMS(OBS, PRED)" N 96 2.916 1
55 1 10 1 "RMS(OBS, PRED)" C 95 0.911 1
56 1 10 1 "RMS(OBS, PRED)" CA 101 0.902 1
57 1 10 1 "RMS(OBS, PRED)" CB 95 1.040 1
58 1 10 1 "RMS(OBS, PRED)" H 96 0.593 1
59 1 10 1 "RMS(OBS, PRED)" HA 107 0.291 1
60 1 10 1 "RMS(OBS, PRED)" N 96 2.763 1
61 1 11 1 "RMS(OBS, PRED)" C 95 1.016 1
62 1 11 1 "RMS(OBS, PRED)" CA 101 1.146 1
63 1 11 1 "RMS(OBS, PRED)" CB 95 0.861 1
64 1 11 1 "RMS(OBS, PRED)" H 96 0.599 1
65 1 11 1 "RMS(OBS, PRED)" HA 107 0.296 1
66 1 11 1 "RMS(OBS, PRED)" N 96 2.964 1
67 1 12 1 "RMS(OBS, PRED)" C 95 0.987 1
68 1 12 1 "RMS(OBS, PRED)" CA 101 1.220 1
69 1 12 1 "RMS(OBS, PRED)" CB 95 0.998 1
70 1 12 1 "RMS(OBS, PRED)" H 96 0.621 1
71 1 12 1 "RMS(OBS, PRED)" HA 107 0.290 1
72 1 12 1 "RMS(OBS, PRED)" N 96 2.834 1
73 1 13 1 "RMS(OBS, PRED)" C 95 0.998 1
74 1 13 1 "RMS(OBS, PRED)" CA 101 1.077 1
75 1 13 1 "RMS(OBS, PRED)" CB 95 0.898 1
76 1 13 1 "RMS(OBS, PRED)" H 96 0.600 1
77 1 13 1 "RMS(OBS, PRED)" HA 107 0.252 1
78 1 13 1 "RMS(OBS, PRED)" N 96 3.034 1
79 1 14 1 "RMS(OBS, PRED)" C 95 0.993 1
80 1 14 1 "RMS(OBS, PRED)" CA 101 1.044 1
81 1 14 1 "RMS(OBS, PRED)" CB 95 1.146 1
82 1 14 1 "RMS(OBS, PRED)" H 96 0.597 1
83 1 14 1 "RMS(OBS, PRED)" HA 107 0.275 1
84 1 14 1 "RMS(OBS, PRED)" N 96 3.648 1
85 1 15 1 "RMS(OBS, PRED)" C 95 0.927 1
86 1 15 1 "RMS(OBS, PRED)" CA 101 1.098 1
87 1 15 1 "RMS(OBS, PRED)" CB 95 1.144 1
88 1 15 1 "RMS(OBS, PRED)" H 96 0.602 1
89 1 15 1 "RMS(OBS, PRED)" HA 107 0.291 1
90 1 15 1 "RMS(OBS, PRED)" N 96 2.692 1
91 1 16 1 "RMS(OBS, PRED)" C 95 0.930 1
92 1 16 1 "RMS(OBS, PRED)" CA 101 1.111 1
93 1 16 1 "RMS(OBS, PRED)" CB 95 0.939 1
94 1 16 1 "RMS(OBS, PRED)" H 96 0.610 1
95 1 16 1 "RMS(OBS, PRED)" HA 107 0.273 1
96 1 16 1 "RMS(OBS, PRED)" N 96 2.525 1
97 1 17 1 "RMS(OBS, PRED)" C 95 0.947 1
98 1 17 1 "RMS(OBS, PRED)" CA 101 1.158 1
99 1 17 1 "RMS(OBS, PRED)" CB 95 1.014 1
100 1 17 1 "RMS(OBS, PRED)" H 96 0.591 1
101 1 17 1 "RMS(OBS, PRED)" HA 107 0.308 1
102 1 17 1 "RMS(OBS, PRED)" N 96 2.579 1
103 1 18 1 "RMS(OBS, PRED)" C 95 1.005 1
104 1 18 1 "RMS(OBS, PRED)" CA 101 1.065 1
105 1 18 1 "RMS(OBS, PRED)" CB 95 0.991 1
106 1 18 1 "RMS(OBS, PRED)" H 96 0.617 1
107 1 18 1 "RMS(OBS, PRED)" HA 107 0.271 1
108 1 18 1 "RMS(OBS, PRED)" N 96 3.116 1
109 1 19 1 "RMS(OBS, PRED)" C 95 1.057 1
110 1 19 1 "RMS(OBS, PRED)" CA 101 1.045 1
111 1 19 1 "RMS(OBS, PRED)" CB 95 1.015 1
112 1 19 1 "RMS(OBS, PRED)" H 96 0.581 1
113 1 19 1 "RMS(OBS, PRED)" HA 107 0.282 1
114 1 19 1 "RMS(OBS, PRED)" N 96 3.135 1
115 1 20 1 "RMS(OBS, PRED)" C 95 0.970 1
116 1 20 1 "RMS(OBS, PRED)" CA 101 1.168 1
117 1 20 1 "RMS(OBS, PRED)" CB 95 1.007 1
118 1 20 1 "RMS(OBS, PRED)" H 96 0.623 1
119 1 20 1 "RMS(OBS, PRED)" HA 107 0.277 1
120 1 20 1 "RMS(OBS, PRED)" N 96 3.024 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 4 4 GLN HA H 4 4.360 4.366 -0.006 2
1 7 . 1 1 A 4 4 GLN C C 4 176.100 175.736 0.364 2
1 8 . 1 1 A 4 4 GLN CA C 4 56.000 56.463 -0.463 2
1 9 . 1 1 A 4 4 GLN CB C 4 29.300 29.358 -0.058 2
1 11 . 1 1 A 5 5 THR H H 5 8.280 8.360 -0.080 2
1 12 . 1 1 A 5 5 THR HA H 5 4.320 4.368 -0.048 2
1 17 . 1 1 A 5 5 THR C C 5 174.300 174.410 -0.110 2
1 18 . 1 1 A 5 5 THR CA C 5 62.200 62.500 -0.300 2
1 19 . 1 1 A 5 5 THR CB C 5 69.600 69.280 0.320 2
1 21 . 1 1 A 5 5 THR N N 5 115.700 114.481 1.219 2
1 22 . 1 1 A 6 6 CYS H H 6 8.410 8.318 0.092 2
1 23 . 1 1 A 6 6 CYS HA H 6 4.540 4.675 -0.135 2
1 26 . 1 1 A 6 6 CYS C C 6 174.400 174.405 -0.005 2
1 27 . 1 1 A 6 6 CYS CA C 6 58.200 59.199 -0.999 2
1 28 . 1 1 A 6 6 CYS CB C 6 27.800 28.510 -0.710 2
1 29 . 1 1 A 6 6 CYS N N 6 121.900 121.507 0.393 2
1 30 . 1 1 A 7 7 VAL H H 7 8.290 8.265 0.025 2
1 31 . 1 1 A 7 7 VAL HA H 7 4.090 4.287 -0.197 2
1 39 . 1 1 A 7 7 VAL C C 7 176.100 175.707 0.393 2
1 40 . 1 1 A 7 7 VAL CA C 7 62.400 62.354 0.046 2
1 41 . 1 1 A 7 7 VAL CB C 7 32.500 32.841 -0.341 2
1 44 . 1 1 A 7 7 VAL N N 7 122.700 122.236 0.464 2
1 45 . 1 1 A 8 8 GLU H H 8 8.510 8.561 -0.051 2
1 46 . 1 1 A 8 8 GLU HA H 8 4.240 4.354 -0.114 2
1 51 . 1 1 A 8 8 GLU C C 8 176.100 176.368 -0.268 2
1 52 . 1 1 A 8 8 GLU CA C 8 56.900 56.831 0.068 2
1 53 . 1 1 A 8 8 GLU CB C 8 30.100 30.013 0.087 2
1 55 . 1 1 A 8 8 GLU N N 8 124.300 124.349 -0.049 2
1 56 . 1 1 A 9 9 ASN H H 9 8.390 8.579 -0.189 2
1 57 . 1 1 A 9 9 ASN HA H 9 4.650 4.740 -0.090 2
1 62 . 1 1 A 9 9 ASN C C 9 174.900 175.070 -0.170 2
1 63 . 1 1 A 9 9 ASN CA C 9 53.400 54.042 -0.642 2
1 64 . 1 1 A 9 9 ASN CB C 9 39.000 38.666 0.334 2
1 66 . 1 1 A 9 9 ASN N N 9 119.300 120.681 -1.381 2
1 68 . 1 1 A 10 10 GLU H H 10 8.330 8.305 0.025 2
1 69 . 1 1 A 10 10 GLU HA H 10 4.250 4.339 -0.089 2
1 74 . 1 1 A 10 10 GLU C C 10 176.400 176.109 0.291 2
1 75 . 1 1 A 10 10 GLU CA C 10 56.800 57.151 -0.351 2
1 76 . 1 1 A 10 10 GLU CB C 10 30.200 30.012 0.188 2
1 78 . 1 1 A 10 10 GLU N N 10 121.400 120.115 1.285 2
1 79 . 1 1 A 11 11 VAL H H 11 8.250 8.334 -0.084 2
1 80 . 1 1 A 11 11 VAL HA H 11 4.090 4.260 -0.170 2
1 88 . 1 1 A 11 11 VAL C C 11 176.100 175.481 0.619 2
1 89 . 1 1 A 11 11 VAL CA C 11 62.400 62.118 0.282 2
1 90 . 1 1 A 11 11 VAL CB C 11 32.500 32.591 -0.091 2
1 93 . 1 1 A 11 11 VAL N N 11 121.900 120.786 1.114 2
1 94 . 1 1 A 12 12 CYS H H 12 8.450 8.597 -0.147 2
1 95 . 1 1 A 12 12 CYS HA H 12 4.500 4.616 -0.116 2
1 98 . 1 1 A 12 12 CYS C C 12 174.400 174.466 -0.066 2
1 99 . 1 1 A 12 12 CYS CA C 12 58.300 58.965 -0.665 2
1 100 . 1 1 A 12 12 CYS CB C 12 28.000 28.533 -0.533 2
1 101 . 1 1 A 12 12 CYS N N 12 123.800 123.700 0.100 2
1 102 . 1 1 A 13 13 GLU H H 13 8.560 8.559 0.001 2
1 103 . 1 1 A 13 13 GLU HA H 13 4.260 4.341 -0.081 2
1 108 . 1 1 A 13 13 GLU C C 13 176.100 176.104 -0.004 2
1 109 . 1 1 A 13 13 GLU CA C 13 56.700 57.128 -0.428 2
1 110 . 1 1 A 13 13 GLU CB C 13 30.200 29.971 0.229 2
1 112 . 1 1 A 13 13 GLU N N 13 124.100 122.425 1.675 2
1 113 . 1 1 A 14 14 ALA H H 14 8.400 8.230 0.170 2
1 114 . 1 1 A 14 14 ALA HA H 14 4.350 4.310 0.040 2
1 118 . 1 1 A 14 14 ALA C C 14 177.700 177.185 0.515 2
1 119 . 1 1 A 14 14 ALA CA C 14 52.600 52.686 -0.086 2
1 120 . 1 1 A 14 14 ALA CB C 14 19.100 19.252 -0.152 2
1 121 . 1 1 A 14 14 ALA N N 14 125.400 123.566 1.834 2
1 122 . 1 1 A 15 15 CYS H H 15 8.370 8.274 0.096 2
1 123 . 1 1 A 15 15 CYS HA H 15 4.490 4.481 0.009 2
1 126 . 1 1 A 15 15 CYS C C 15 175.100 175.056 0.044 2
1 127 . 1 1 A 15 15 CYS CA C 15 58.400 59.600 -1.200 2
1 128 . 1 1 A 15 15 CYS CB C 15 28.000 28.580 -0.580 2
1 129 . 1 1 A 15 15 CYS N N 15 118.500 117.752 0.748 2
1 130 . 1 1 A 16 16 GLY H H 16 8.480 8.356 0.124 2
1 131 . 1 1 A 16 16 GLY HA2 H 16 3.970 3.980 -0.010 2
1 132 . 1 1 A 16 16 GLY HA3 H 16 3.970 3.981 -0.011 2
1 133 . 1 1 A 16 16 GLY C C 16 174.100 173.955 0.145 2
1 134 . 1 1 A 16 16 GLY CA C 16 45.400 45.765 -0.365 2
1 135 . 1 1 A 16 16 GLY N N 16 111.300 109.758 1.542 2
1 136 . 1 1 A 17 17 CYS H H 17 8.300 8.285 0.015 2
1 137 . 1 1 A 17 17 CYS HA H 17 4.500 4.411 0.089 2
1 140 . 1 1 A 17 17 CYS C C 17 174.500 174.621 -0.121 2
1 141 . 1 1 A 17 17 CYS CA C 17 58.300 59.987 -1.687 2
1 142 . 1 1 A 17 17 CYS CB C 17 28.100 27.692 0.408 2
1 143 . 1 1 A 17 17 CYS N N 17 118.900 119.314 -0.414 2
1 144 . 1 1 A 18 18 ALA H H 18 8.520 8.202 0.318 2
1 145 . 1 1 A 18 18 ALA HA H 18 4.260 4.149 0.111 2
1 149 . 1 1 A 18 18 ALA C C 18 178.000 177.620 0.380 2
1 150 . 1 1 A 18 18 ALA CA C 18 52.900 53.109 -0.209 2
1 151 . 1 1 A 18 18 ALA CB C 18 19.000 18.747 0.253 2
1 152 . 1 1 A 18 18 ALA N N 18 126.800 123.924 2.876 2
1 153 . 1 1 A 19 19 GLY H H 19 8.310 8.398 -0.088 2
1 154 . 1 1 A 19 19 GLY HA2 H 19 3.890 4.000 -0.110 2
1 155 . 1 1 A 19 19 GLY HA3 H 19 3.890 4.006 -0.116 2
1 156 . 1 1 A 19 19 GLY C C 19 174.000 174.013 -0.013 2
1 157 . 1 1 A 19 19 GLY CA C 19 45.000 45.402 -0.402 2
1 158 . 1 1 A 19 19 GLY N N 19 108.100 108.652 -0.552 2
1 159 . 1 1 A 20 20 GLU H H 20 8.180 8.329 -0.149 2
1 160 . 1 1 A 20 20 GLU HA H 20 4.270 4.251 0.019 2
1 165 . 1 1 A 20 20 GLU C C 20 176.400 176.557 -0.157 2
1 166 . 1 1 A 20 20 GLU CA C 20 56.200 57.150 -0.950 2
1 167 . 1 1 A 20 20 GLU CB C 20 30.100 30.084 0.016 2
1 169 . 1 1 A 20 20 GLU N N 20 120.500 120.759 -0.259 2
1 170 . 1 1 A 21 21 ILE H H 21 8.160 8.352 -0.192 2
1 171 . 1 1 A 21 21 ILE HA H 21 4.020 4.277 -0.257 2
1 181 . 1 1 A 21 21 ILE C C 21 176.400 176.043 0.357 2
1 182 . 1 1 A 21 21 ILE CA C 21 61.200 61.609 -0.409 2
1 183 . 1 1 A 21 21 ILE CB C 21 38.200 38.488 -0.288 2
1 187 . 1 1 A 21 21 ILE N N 21 122.000 122.514 -0.514 2
1 188 . 1 1 A 22 22 GLY H H 22 8.260 8.145 0.115 2
1 189 . 1 1 A 22 22 GLY HA2 H 22 3.740 3.950 -0.210 2
1 190 . 1 1 A 22 22 GLY HA3 H 22 3.880 4.019 -0.139 2
1 191 . 1 1 A 22 22 GLY C C 22 173.200 173.334 -0.134 2
1 192 . 1 1 A 22 22 GLY CA C 22 45.100 45.763 -0.663 2
1 193 . 1 1 A 22 22 GLY N N 22 112.500 111.384 1.116 2
1 194 . 1 1 A 23 23 PHE H H 23 7.890 8.482 -0.592 2
1 195 . 1 1 A 23 23 PHE HA H 23 4.550 4.783 -0.233 2
1 202 . 1 1 A 23 23 PHE CA C 23 58.100 57.940 0.160 2
1 203 . 1 1 A 23 23 PHE CB C 23 41.200 40.526 0.674 2
1 206 . 1 1 A 23 23 PHE N N 23 119.700 121.288 -1.588 2
1 207 . 1 1 A 24 24 ILE HA H 24 3.970 4.009 -0.039 2
1 217 . 1 1 A 24 24 ILE CA C 24 62.400 62.381 0.019 2
1 218 . 1 1 A 24 24 ILE CB C 24 37.700 38.447 -0.747 2
1 222 . 1 1 A 25 25 ILE H H 25 8.950 8.166 0.784 2
1 223 . 1 1 A 25 25 ILE HA H 25 3.740 3.919 -0.179 2
1 233 . 1 1 A 25 25 ILE C C 25 175.200 175.653 -0.453 2
1 234 . 1 1 A 25 25 ILE CA C 25 62.700 62.567 0.133 2
1 235 . 1 1 A 25 25 ILE CB C 25 38.200 37.450 0.750 2
1 239 . 1 1 A 25 25 ILE N N 25 124.800 122.865 1.935 2
1 240 . 1 1 A 26 26 ARG H H 26 8.040 8.232 -0.192 2
1 241 . 1 1 A 26 26 ARG HA H 26 4.140 4.311 -0.171 2
1 248 . 1 1 A 26 26 ARG C C 26 175.900 175.816 0.084 2
1 249 . 1 1 A 26 26 ARG CA C 26 55.300 56.464 -1.164 2
1 250 . 1 1 A 26 26 ARG CB C 26 31.100 30.531 0.569 2
1 253 . 1 1 A 26 26 ARG N N 26 128.100 123.989 4.111 2
1 254 . 1 1 A 27 27 GLU H H 27 8.560 8.533 0.027 2
1 255 . 1 1 A 27 27 GLU HA H 27 4.030 4.317 -0.287 2
1 260 . 1 1 A 27 27 GLU C C 27 176.300 176.346 -0.046 2
1 261 . 1 1 A 27 27 GLU CA C 27 57.000 56.831 0.169 2
1 262 . 1 1 A 27 27 GLU CB C 27 30.000 29.572 0.428 2
1 264 . 1 1 A 27 27 GLU N N 27 123.500 121.103 2.397 2
1 265 . 1 1 A 28 28 GLY H H 28 8.420 8.433 -0.013 2
1 266 . 1 1 A 28 28 GLY HA2 H 28 4.050 4.090 -0.040 2
1 267 . 1 1 A 28 28 GLY HA3 H 28 4.220 4.096 0.124 2
1 268 . 1 1 A 28 28 GLY C C 28 174.000 174.104 -0.104 2
1 269 . 1 1 A 28 28 GLY CA C 28 45.400 45.269 0.131 2
1 270 . 1 1 A 28 28 GLY N N 28 108.300 110.079 -1.779 2
1 271 . 1 1 A 29 29 ASP H H 29 8.690 8.781 -0.091 2
1 272 . 1 1 A 29 29 ASP HA H 29 4.430 4.411 0.019 2
1 275 . 1 1 A 29 29 ASP C C 29 175.200 176.099 -0.899 2
1 276 . 1 1 A 29 29 ASP CA C 29 56.300 55.717 0.583 2
1 277 . 1 1 A 29 29 ASP CB C 29 40.300 40.005 0.295 2
1 278 . 1 1 A 29 29 ASP N N 29 119.800 119.960 -0.160 2
1 279 . 1 1 A 30 30 ASP H H 30 8.630 8.334 0.296 2
1 280 . 1 1 A 30 30 ASP HA H 30 4.260 4.686 -0.426 2
1 283 . 1 1 A 30 30 ASP C C 30 174.300 175.091 -0.791 2
1 284 . 1 1 A 30 30 ASP CA C 30 52.600 54.131 -1.531 2
1 285 . 1 1 A 30 30 ASP CB C 30 39.200 40.415 -1.215 2
1 286 . 1 1 A 30 30 ASP N N 30 114.900 117.409 -2.509 2
1 287 . 1 1 A 31 31 VAL H H 31 7.550 7.760 -0.210 2
1 288 . 1 1 A 31 31 VAL HA H 31 5.300 4.827 0.473 2
1 296 . 1 1 A 31 31 VAL C C 31 175.800 174.528 1.272 2
1 297 . 1 1 A 31 31 VAL CA C 31 60.700 60.447 0.253 2
1 298 . 1 1 A 31 31 VAL CB C 31 35.000 34.884 0.116 2
1 301 . 1 1 A 31 31 VAL N N 31 120.500 120.640 -0.140 2
1 302 . 1 1 A 32 32 ALA H H 32 9.580 9.332 0.248 2
1 303 . 1 1 A 32 32 ALA HA H 32 5.030 5.322 -0.292 2
1 307 . 1 1 A 32 32 ALA C C 32 175.800 175.815 -0.015 2
1 308 . 1 1 A 32 32 ALA CA C 32 50.000 50.390 -0.390 2
1 309 . 1 1 A 32 32 ALA CB C 32 22.800 22.960 -0.160 2
1 310 . 1 1 A 32 32 ALA N N 32 130.500 128.994 1.506 2
1 311 . 1 1 A 33 33 GLU H H 33 9.270 8.818 0.452 2
1 312 . 1 1 A 33 33 GLU HA H 33 5.140 5.088 0.052 2
1 317 . 1 1 A 33 33 GLU C C 33 175.900 175.646 0.254 2
1 318 . 1 1 A 33 33 GLU CA C 33 55.300 55.536 -0.236 2
1 319 . 1 1 A 33 33 GLU CB C 33 31.500 31.877 -0.377 2
1 321 . 1 1 A 33 33 GLU N N 33 124.500 120.754 3.746 2
1 322 . 1 1 A 34 34 VAL H H 34 9.140 8.921 0.219 2
1 323 . 1 1 A 34 34 VAL HA H 34 4.580 5.000 -0.420 2
1 331 . 1 1 A 34 34 VAL C C 34 174.300 174.844 -0.544 2
1 332 . 1 1 A 34 34 VAL CA C 34 60.800 60.778 0.022 2
1 333 . 1 1 A 34 34 VAL CB C 34 35.700 34.790 0.910 2
1 336 . 1 1 A 34 34 VAL N N 34 124.700 125.020 -0.320 2
1 337 . 1 1 A 35 35 SER H H 35 8.450 9.007 -0.557 2
1 338 . 1 1 A 35 35 SER HA H 35 5.060 5.311 -0.251 2
1 341 . 1 1 A 35 35 SER C C 35 172.100 172.583 -0.483 2
1 342 . 1 1 A 35 35 SER CA C 35 56.900 56.922 -0.022 2
1 343 . 1 1 A 35 35 SER CB C 35 64.800 65.293 -0.493 2
1 344 . 1 1 A 35 35 SER N N 35 122.100 122.630 -0.530 2
1 345 . 1 1 A 36 36 LEU H H 36 8.540 8.531 0.009 2
1 346 . 1 1 A 36 36 LEU HA H 36 4.570 5.128 -0.558 2
1 356 . 1 1 A 36 36 LEU C C 36 174.200 174.575 -0.374 2
1 357 . 1 1 A 36 36 LEU CA C 36 52.600 52.878 -0.278 2
1 358 . 1 1 A 36 36 LEU CB C 36 45.600 45.558 0.042 2
1 362 . 1 1 A 36 36 LEU N N 36 123.600 126.715 -3.115 2
1 363 . 1 1 A 37 37 PHE H H 37 8.400 8.845 -0.445 2
1 364 . 1 1 A 37 37 PHE HA H 37 5.300 5.409 -0.109 2
1 369 . 1 1 A 37 37 PHE C C 37 175.600 175.314 0.286 2
1 370 . 1 1 A 37 37 PHE CA C 37 56.300 55.761 0.539 2
1 371 . 1 1 A 37 37 PHE CB C 37 42.000 42.095 -0.095 2
1 374 . 1 1 A 37 37 PHE N N 37 118.300 123.871 -5.571 2
1 375 . 1 1 A 38 38 GLY H H 38 8.340 8.306 0.034 2
1 376 . 1 1 A 38 38 GLY HA2 H 38 3.750 4.211 -0.461 2
1 377 . 1 1 A 38 38 GLY HA3 H 38 4.210 4.293 -0.083 2
1 378 . 1 1 A 38 38 GLY CA C 38 45.600 45.624 -0.024 2
1 379 . 1 1 A 38 38 GLY N N 38 109.300 109.960 -0.660 2
1 380 . 1 1 A 39 39 SER HA H 39 4.210 4.400 -0.190 2
1 383 . 1 1 A 39 39 SER C C 39 173.700 173.691 0.009 2
1 384 . 1 1 A 39 39 SER CA C 39 60.100 59.166 0.934 2
1 385 . 1 1 A 39 39 SER CB C 39 63.900 63.254 0.646 2
1 386 . 1 1 A 40 40 ASP H H 40 7.670 8.186 -0.516 2
1 387 . 1 1 A 40 40 ASP HA H 40 4.810 4.763 0.047 2
1 390 . 1 1 A 40 40 ASP C C 40 175.500 176.919 -1.419 2
1 391 . 1 1 A 40 40 ASP CA C 40 52.900 53.417 -0.517 2
1 392 . 1 1 A 40 40 ASP CB C 40 41.300 41.808 -0.508 2
1 393 . 1 1 A 40 40 ASP N N 40 115.800 121.229 -5.429 2
1 394 . 1 1 A 41 41 LYS H H 41 8.260 8.674 -0.414 2
1 395 . 1 1 A 41 41 LYS HA H 41 3.780 3.946 -0.166 2
1 404 . 1 1 A 41 41 LYS C C 41 177.100 178.121 -1.021 2
1 405 . 1 1 A 41 41 LYS CA C 41 60.500 59.301 1.199 2
1 406 . 1 1 A 41 41 LYS CB C 41 33.400 31.991 1.409 2
1 410 . 1 1 A 41 41 LYS N N 41 120.200 123.083 -2.883 2
1 411 . 1 1 A 42 42 ALA H H 42 8.420 7.965 0.455 2
1 412 . 1 1 A 42 42 ALA HA H 42 4.180 4.157 0.022 2
1 416 . 1 1 A 42 42 ALA C C 42 181.900 179.787 2.113 2
1 417 . 1 1 A 42 42 ALA CA C 42 55.400 55.052 0.348 2
1 418 . 1 1 A 42 42 ALA CB C 42 17.700 18.409 -0.709 2
1 419 . 1 1 A 42 42 ALA N N 42 120.700 121.867 -1.167 2
1 420 . 1 1 A 43 43 HIS H H 43 8.490 8.016 0.474 2
1 421 . 1 1 A 43 43 HIS HA H 43 4.330 4.320 0.010 2
1 424 . 1 1 A 43 43 HIS C C 43 178.800 177.231 1.570 2
1 425 . 1 1 A 43 43 HIS CA C 43 59.600 59.855 -0.255 2
1 426 . 1 1 A 43 43 HIS CB C 43 30.300 30.033 0.267 2
1 427 . 1 1 A 43 43 HIS N N 43 118.000 117.688 0.312 2
1 428 . 1 1 A 44 44 LEU H H 44 8.340 8.146 0.194 2
1 429 . 1 1 A 44 44 LEU HA H 44 3.750 3.703 0.047 2
1 439 . 1 1 A 44 44 LEU C C 44 178.500 179.091 -0.591 2
1 440 . 1 1 A 44 44 LEU CA C 44 58.200 57.884 0.316 2
1 441 . 1 1 A 44 44 LEU CB C 44 42.100 41.307 0.793 2
1 445 . 1 1 A 44 44 LEU N N 44 121.500 119.280 2.220 2
1 446 . 1 1 A 45 45 GLU H H 45 8.880 8.540 0.340 2
1 447 . 1 1 A 45 45 GLU HA H 45 3.750 4.020 -0.270 2
1 452 . 1 1 A 45 45 GLU C C 45 180.200 180.018 0.182 2
1 453 . 1 1 A 45 45 GLU CA C 45 60.000 59.446 0.554 2
1 454 . 1 1 A 45 45 GLU CB C 45 29.000 29.093 -0.093 2
1 456 . 1 1 A 45 45 GLU N N 45 118.300 118.206 0.094 2
1 457 . 1 1 A 46 46 GLY H H 46 7.970 8.111 -0.141 2
1 458 . 1 1 A 46 46 GLY HA2 H 46 3.920 3.678 0.242 2
1 459 . 1 1 A 46 46 GLY HA3 H 46 3.920 3.715 0.205 2
1 460 . 1 1 A 46 46 GLY C C 46 176.500 175.756 0.744 2
1 461 . 1 1 A 46 46 GLY CA C 46 46.900 47.323 -0.423 2
1 462 . 1 1 A 46 46 GLY N N 46 108.100 109.582 -1.482 2
1 463 . 1 1 A 47 47 LYS H H 47 7.690 7.667 0.023 2
1 464 . 1 1 A 47 47 LYS HA H 47 4.320 4.054 0.266 2
1 473 . 1 1 A 47 47 LYS C C 47 179.400 179.273 0.127 2
1 474 . 1 1 A 47 47 LYS CA C 47 58.400 59.030 -0.630 2
1 475 . 1 1 A 47 47 LYS CB C 47 32.100 32.052 0.048 2
1 479 . 1 1 A 47 47 LYS N N 47 122.400 122.129 0.271 2
1 480 . 1 1 A 48 48 LEU H H 48 8.550 8.094 0.456 2
1 481 . 1 1 A 48 48 LEU HA H 48 3.980 3.953 0.027 2
1 491 . 1 1 A 48 48 LEU C C 48 178.300 178.395 -0.095 2
1 492 . 1 1 A 48 48 LEU CA C 48 57.900 57.684 0.216 2
1 493 . 1 1 A 48 48 LEU CB C 48 40.800 41.240 -0.440 2
1 497 . 1 1 A 48 48 LEU N N 48 120.600 121.531 -0.931 2
1 498 . 1 1 A 49 49 ALA H H 49 7.810 8.172 -0.362 2
1 499 . 1 1 A 49 49 ALA HA H 49 4.000 3.975 0.025 2
1 503 . 1 1 A 49 49 ALA C C 49 180.400 180.048 0.352 2
1 504 . 1 1 A 49 49 ALA CA C 49 55.600 55.345 0.255 2
1 505 . 1 1 A 49 49 ALA CB C 49 17.900 18.268 -0.368 2
1 506 . 1 1 A 49 49 ALA N N 49 120.000 120.300 -0.300 2
1 507 . 1 1 A 50 50 GLU H H 50 7.520 7.921 -0.401 2
1 508 . 1 1 A 50 50 GLU HA H 50 4.130 4.106 0.024 2
1 513 . 1 1 A 50 50 GLU C C 50 179.600 179.224 0.376 2
1 514 . 1 1 A 50 50 GLU CA C 50 59.200 58.945 0.255 2
1 515 . 1 1 A 50 50 GLU CB C 50 29.800 29.527 0.273 2
1 517 . 1 1 A 50 50 GLU N N 50 117.300 118.941 -1.641 2
1 518 . 1 1 A 51 51 TYR H H 51 7.860 8.218 -0.358 2
1 519 . 1 1 A 51 51 TYR HA H 51 3.900 4.342 -0.442 2
1 526 . 1 1 A 51 51 TYR C C 51 177.900 178.442 -0.542 2
1 527 . 1 1 A 51 51 TYR CA C 51 62.400 60.960 1.440 2
1 528 . 1 1 A 51 51 TYR CB C 51 38.200 38.207 -0.007 2
1 533 . 1 1 A 51 51 TYR N N 51 120.300 119.487 0.813 2
1 534 . 1 1 A 52 52 ILE H H 52 8.590 8.229 0.361 2
1 535 . 1 1 A 52 52 ILE HA H 52 3.420 3.621 -0.201 2
1 545 . 1 1 A 52 52 ILE C C 52 177.400 178.075 -0.675 2
1 546 . 1 1 A 52 52 ILE CA C 52 66.200 65.221 0.979 2
1 547 . 1 1 A 52 52 ILE CB C 52 38.200 38.035 0.165 2
1 551 . 1 1 A 52 52 ILE N N 52 120.100 120.718 -0.618 2
1 552 . 1 1 A 53 53 SER H H 53 7.860 7.996 -0.136 2
1 553 . 1 1 A 53 53 SER HA H 53 4.080 4.136 -0.056 2
1 556 . 1 1 A 53 53 SER C C 53 177.700 176.953 0.747 2
1 557 . 1 1 A 53 53 SER CA C 53 61.800 62.092 -0.291 2
1 558 . 1 1 A 53 53 SER CB C 53 62.600 62.890 -0.290 2
1 559 . 1 1 A 53 53 SER N N 53 113.100 115.975 -2.874 2
1 560 . 1 1 A 54 54 LEU H H 54 7.610 8.152 -0.542 2
1 561 . 1 1 A 54 54 LEU HA H 54 4.090 4.105 -0.015 2
1 571 . 1 1 A 54 54 LEU C C 54 178.600 179.060 -0.460 2
1 572 . 1 1 A 54 54 LEU CA C 54 58.000 57.707 0.293 2
1 573 . 1 1 A 54 54 LEU CB C 54 42.200 41.376 0.824 2
1 577 . 1 1 A 54 54 LEU N N 54 121.200 121.766 -0.566 2
1 578 . 1 1 A 55 55 ALA H H 55 8.640 8.578 0.062 2
1 579 . 1 1 A 55 55 ALA HA H 55 3.860 4.067 -0.207 2
1 583 . 1 1 A 55 55 ALA C C 55 179.100 179.503 -0.403 2
1 584 . 1 1 A 55 55 ALA CA C 55 56.200 55.610 0.590 2
1 585 . 1 1 A 55 55 ALA CB C 55 19.000 18.388 0.612 2
1 586 . 1 1 A 55 55 ALA N N 55 121.900 121.911 -0.011 2
1 587 . 1 1 A 56 56 LYS H H 56 8.120 8.141 -0.021 2
1 588 . 1 1 A 56 56 LYS HA H 56 4.220 4.148 0.072 2
1 597 . 1 1 A 56 56 LYS C C 56 178.800 179.124 -0.324 2
1 598 . 1 1 A 56 56 LYS CA C 56 58.300 59.624 -1.324 2
1 599 . 1 1 A 56 56 LYS CB C 56 32.900 32.316 0.584 2
1 603 . 1 1 A 56 56 LYS N N 56 115.600 117.900 -2.300 2
1 604 . 1 1 A 57 57 GLN H H 57 7.590 7.744 -0.154 2
1 605 . 1 1 A 57 57 GLN HA H 57 4.010 4.080 -0.070 2
1 612 . 1 1 A 57 57 GLN C C 57 178.300 178.841 -0.541 2
1 613 . 1 1 A 57 57 GLN CA C 57 58.400 58.861 -0.461 2
1 614 . 1 1 A 57 57 GLN CB C 57 28.600 28.331 0.269 2
1 617 . 1 1 A 57 57 GLN N N 57 117.900 118.969 -1.069 2
1 619 . 1 1 A 58 58 VAL H H 58 7.650 7.950 -0.300 2
1 620 . 1 1 A 58 58 VAL HA H 58 3.750 3.796 -0.046 2
1 628 . 1 1 A 58 58 VAL C C 58 176.400 176.109 0.291 2
1 629 . 1 1 A 58 58 VAL CA C 58 65.500 66.015 -0.515 2
1 630 . 1 1 A 58 58 VAL CB C 58 32.000 32.209 -0.209 2
1 633 . 1 1 A 58 58 VAL N N 58 120.200 118.937 1.263 2
1 634 . 1 1 A 59 59 TYR H H 59 8.700 8.222 0.478 2
1 635 . 1 1 A 59 59 TYR HA H 59 5.040 4.878 0.162 2
1 642 . 1 1 A 59 59 TYR C C 59 174.100 174.551 -0.451 2
1 643 . 1 1 A 59 59 TYR CA C 59 55.500 57.077 -1.577 2
1 644 . 1 1 A 59 59 TYR CB C 59 40.500 41.567 -1.067 2
1 649 . 1 1 A 59 59 TYR N N 59 120.400 120.058 0.342 2
1 650 . 1 1 A 60 60 ALA H H 60 8.900 8.168 0.733 2
1 651 . 1 1 A 60 60 ALA HA H 60 4.230 4.099 0.131 2
1 655 . 1 1 A 60 60 ALA CA C 60 55.400 52.858 2.542 2
1 656 . 1 1 A 60 60 ALA CB C 60 18.100 19.145 -1.045 2
1 657 . 1 1 A 60 60 ALA N N 60 131.000 128.270 2.730 2
1 658 . 1 1 A 61 61 ASN H H 61 5.430 8.801 -3.371 2
1 659 . 1 1 A 61 61 ASN HA H 61 4.760 4.456 0.304 2
1 664 . 1 1 A 61 61 ASN C C 61 173.200 174.770 -1.570 2
1 665 . 1 1 A 61 61 ASN CA C 61 51.800 53.689 -1.889 2
1 666 . 1 1 A 61 61 ASN CB C 61 37.600 37.215 0.385 2
1 668 . 1 1 A 61 61 ASN N N 61 111.100 117.929 -6.829 2
1 670 . 1 1 A 62 62 VAL H H 62 6.870 8.079 -1.209 2
1 671 . 1 1 A 62 62 VAL HA H 62 3.730 4.407 -0.676 2
1 679 . 1 1 A 62 62 VAL C C 62 172.400 174.826 -2.425 2
1 680 . 1 1 A 62 62 VAL CA C 62 62.500 62.136 0.364 2
1 681 . 1 1 A 62 62 VAL CB C 62 31.300 32.964 -1.664 2
1 684 . 1 1 A 62 62 VAL N N 62 120.400 121.039 -0.639 2
1 685 . 1 1 A 63 63 GLU H H 63 7.360 8.522 -1.162 2
1 686 . 1 1 A 63 63 GLU HA H 63 4.590 4.974 -0.384 2
1 691 . 1 1 A 63 63 GLU C C 63 174.500 175.148 -0.648 2
1 692 . 1 1 A 63 63 GLU CA C 63 54.000 54.792 -0.792 2
1 693 . 1 1 A 63 63 GLU CB C 63 32.700 32.739 -0.039 2
1 695 . 1 1 A 63 63 GLU N N 63 126.500 127.525 -1.024 2
1 696 . 1 1 A 64 64 TYR H H 64 8.300 8.411 -0.110 2
1 697 . 1 1 A 64 64 TYR HA H 64 5.400 5.156 0.244 2
1 704 . 1 1 A 64 64 TYR C C 64 173.400 172.405 0.995 2
1 705 . 1 1 A 64 64 TYR CA C 64 54.800 55.596 -0.796 2
1 706 . 1 1 A 64 64 TYR CB C 64 41.800 41.195 0.605 2
1 711 . 1 1 A 64 64 TYR N N 64 118.800 119.613 -0.813 2
1 712 . 1 1 A 65 65 GLU H H 65 8.470 8.345 0.125 2
1 713 . 1 1 A 65 65 GLU HA H 65 4.440 4.795 -0.355 2
1 718 . 1 1 A 65 65 GLU C C 65 173.800 174.452 -0.652 2
1 719 . 1 1 A 65 65 GLU CA C 65 54.600 54.949 -0.349 2
1 720 . 1 1 A 65 65 GLU CB C 65 35.000 33.961 1.039 2
1 722 . 1 1 A 65 65 GLU N N 65 121.300 119.661 1.639 2
1 723 . 1 1 A 66 66 VAL H H 66 8.780 8.809 -0.029 2
1 724 . 1 1 A 66 66 VAL HA H 66 4.600 4.808 -0.208 2
1 732 . 1 1 A 66 66 VAL C C 66 175.900 175.130 0.770 2
1 733 . 1 1 A 66 66 VAL CA C 66 60.800 60.282 0.518 2
1 734 . 1 1 A 66 66 VAL CB C 66 33.800 34.485 -0.685 2
1 737 . 1 1 A 66 66 VAL N N 66 126.000 122.754 3.246 2
1 738 . 1 1 A 67 67 ALA H H 67 8.400 8.511 -0.111 2
1 739 . 1 1 A 67 67 ALA HA H 67 4.390 4.657 -0.267 2
1 743 . 1 1 A 67 67 ALA CA C 67 51.100 50.869 0.231 2
1 744 . 1 1 A 67 67 ALA CB C 67 16.800 18.566 -1.766 2
1 745 . 1 1 A 67 67 ALA N N 67 132.400 130.323 2.077 2
1 746 . 1 1 A 68 68 PRO HA H 68 4.260 4.534 -0.274 2
1 753 . 1 1 A 68 68 PRO C C 68 176.400 176.021 0.379 2
1 754 . 1 1 A 68 68 PRO CA C 68 63.800 63.248 0.552 2
1 755 . 1 1 A 68 68 PRO CB C 68 31.800 32.208 -0.408 2
1 758 . 1 1 A 69 69 VAL H H 69 8.240 8.496 -0.256 2
1 759 . 1 1 A 69 69 VAL HA H 69 4.360 4.633 -0.273 2
1 767 . 1 1 A 69 69 VAL C C 69 175.500 175.255 0.245 2
1 768 . 1 1 A 69 69 VAL CA C 69 60.500 60.627 -0.127 2
1 769 . 1 1 A 69 69 VAL CB C 69 34.200 35.497 -1.297 2
1 772 . 1 1 A 69 69 VAL N N 69 121.600 123.401 -1.801 2
1 773 . 1 1 A 70 70 ALA H H 70 8.630 8.686 -0.056 2
1 774 . 1 1 A 70 70 ALA HA H 70 4.370 4.480 -0.110 2
1 778 . 1 1 A 70 70 ALA C C 70 178.100 177.834 0.266 2
1 779 . 1 1 A 70 70 ALA CA C 70 51.700 51.983 -0.283 2
1 780 . 1 1 A 70 70 ALA CB C 70 19.700 19.417 0.283 2
1 781 . 1 1 A 70 70 ALA N N 70 128.800 129.364 -0.564 2
1 782 . 1 1 A 71 71 ASP H H 71 8.640 8.883 -0.243 2
1 783 . 1 1 A 71 71 ASP HA H 71 4.330 4.330 -0.000 2
1 786 . 1 1 A 71 71 ASP C C 71 177.000 177.067 -0.067 2
1 787 . 1 1 A 71 71 ASP CA C 71 57.300 57.190 0.110 2
1 788 . 1 1 A 71 71 ASP CB C 71 40.300 40.478 -0.178 2
1 789 . 1 1 A 71 71 ASP N N 71 118.900 120.853 -1.953 2
1 790 . 1 1 A 72 72 ASN H H 72 8.100 8.046 0.054 2
1 791 . 1 1 A 72 72 ASN HA H 72 4.810 4.853 -0.043 2
1 796 . 1 1 A 72 72 ASN C C 72 175.300 175.421 -0.121 2
1 797 . 1 1 A 72 72 ASN CA C 72 51.900 52.751 -0.851 2
1 798 . 1 1 A 72 72 ASN CB C 72 37.400 38.561 -1.161 2
1 800 . 1 1 A 72 72 ASN N N 72 114.800 115.146 -0.346 2
1 802 . 1 1 A 73 73 ALA H H 73 7.580 7.297 0.283 2
1 803 . 1 1 A 73 73 ALA HA H 73 4.230 4.216 0.014 2
1 807 . 1 1 A 73 73 ALA C C 73 176.300 178.155 -1.855 2
1 808 . 1 1 A 73 73 ALA CA C 73 53.200 52.955 0.245 2
1 809 . 1 1 A 73 73 ALA CB C 73 21.000 19.230 1.770 2
1 810 . 1 1 A 73 73 ALA N N 73 123.400 122.858 0.542 2
1 811 . 1 1 A 74 74 THR H H 74 8.220 8.616 -0.396 2
1 812 . 1 1 A 74 74 THR HA H 74 4.560 4.518 0.042 2
1 817 . 1 1 A 74 74 THR C C 74 174.100 173.743 0.357 2
1 818 . 1 1 A 74 74 THR CA C 74 60.200 62.617 -2.417 2
1 819 . 1 1 A 74 74 THR CB C 74 69.900 68.721 1.179 2
1 821 . 1 1 A 74 74 THR N N 74 104.600 112.428 -7.828 2
1 822 . 1 1 A 75 75 GLU H H 75 7.310 7.714 -0.404 2
1 823 . 1 1 A 75 75 GLU HA H 75 5.190 4.912 0.278 2
1 828 . 1 1 A 75 75 GLU C C 75 173.600 173.821 -0.221 2
1 829 . 1 1 A 75 75 GLU CA C 75 54.100 55.124 -1.024 2
1 830 . 1 1 A 75 75 GLU CB C 75 34.100 33.209 0.891 2
1 832 . 1 1 A 75 75 GLU N N 75 119.100 120.045 -0.945 2
1 833 . 1 1 A 76 76 LEU H H 76 8.400 8.610 -0.210 2
1 834 . 1 1 A 76 76 LEU HA H 76 4.650 5.132 -0.482 2
1 844 . 1 1 A 76 76 LEU C C 76 174.100 173.984 0.116 2
1 845 . 1 1 A 76 76 LEU CA C 76 54.200 53.470 0.730 2
1 846 . 1 1 A 76 76 LEU CB C 76 47.400 45.907 1.493 2
1 850 . 1 1 A 76 76 LEU N N 76 122.600 124.152 -1.552 2
1 851 . 1 1 A 77 77 HIS H H 77 9.340 8.896 0.444 2
1 852 . 1 1 A 77 77 HIS HA H 77 5.440 5.252 0.188 2
1 855 . 1 1 A 77 77 HIS C C 77 172.700 174.341 -1.641 2
1 856 . 1 1 A 77 77 HIS CA C 77 54.400 54.481 -0.081 2
1 857 . 1 1 A 77 77 HIS CB C 77 31.700 31.950 -0.250 2
1 858 . 1 1 A 77 77 HIS N N 77 123.500 125.325 -1.825 2
1 859 . 1 1 A 78 78 ALA H H 78 9.190 8.640 0.550 2
1 860 . 1 1 A 78 78 ALA HA H 78 5.620 5.045 0.575 2
1 864 . 1 1 A 78 78 ALA C C 78 175.600 175.303 0.297 2
1 865 . 1 1 A 78 78 ALA CA C 78 50.300 51.060 -0.760 2
1 866 . 1 1 A 78 78 ALA CB C 78 24.100 24.075 0.025 2
1 867 . 1 1 A 78 78 ALA N N 78 124.800 125.556 -0.756 2
1 868 . 1 1 A 79 79 ARG H H 79 8.680 8.366 0.314 2
1 869 . 1 1 A 79 79 ARG HA H 79 5.230 5.350 -0.120 2
1 874 . 1 1 A 79 79 ARG C C 79 173.900 174.845 -0.945 2
1 875 . 1 1 A 79 79 ARG CA C 79 55.300 54.471 0.829 2
1 876 . 1 1 A 79 79 ARG CB C 79 34.400 34.290 0.110 2
1 879 . 1 1 A 79 79 ARG N N 79 119.100 118.991 0.109 2
1 880 . 1 1 A 80 80 PHE H H 80 8.970 9.121 -0.151 2
1 881 . 1 1 A 80 80 PHE HA H 80 4.720 4.982 -0.262 2
1 889 . 1 1 A 80 80 PHE C C 80 172.700 174.090 -1.390 2
1 890 . 1 1 A 80 80 PHE CA C 80 56.300 56.202 0.098 2
1 891 . 1 1 A 80 80 PHE CB C 80 42.600 43.298 -0.698 2
1 897 . 1 1 A 80 80 PHE N N 80 119.200 121.268 -2.068 2
1 898 . 1 1 A 81 81 LYS H H 81 9.350 8.423 0.927 2
1 899 . 1 1 A 81 81 LYS HA H 81 4.800 4.970 -0.170 2
1 908 . 1 1 A 81 81 LYS C C 81 174.500 174.738 -0.238 2
1 909 . 1 1 A 81 81 LYS CA C 81 55.600 54.613 0.987 2
1 910 . 1 1 A 81 81 LYS CB C 81 35.200 34.807 0.393 2
1 914 . 1 1 A 81 81 LYS N N 81 124.500 122.264 2.236 2
1 915 . 1 1 A 82 82 PHE H H 82 8.840 8.674 0.166 2
1 916 . 1 1 A 82 82 PHE HA H 82 4.550 4.459 0.091 2
1 924 . 1 1 A 82 82 PHE C C 82 173.200 175.638 -2.438 2
1 925 . 1 1 A 82 82 PHE CA C 82 57.800 56.677 1.123 2
1 926 . 1 1 A 82 82 PHE CB C 82 40.100 41.550 -1.450 2
1 932 . 1 1 A 82 82 PHE N N 82 127.900 124.039 3.861 2
1 933 . 1 1 A 83 83 GLU H H 83 7.590 8.501 -0.911 2
1 934 . 1 1 A 83 83 GLU HA H 83 4.120 4.262 -0.142 2
1 939 . 1 1 A 83 83 GLU C C 83 177.500 176.043 1.457 2
1 940 . 1 1 A 83 83 GLU CA C 83 58.900 58.289 0.611 2
1 941 . 1 1 A 83 83 GLU CB C 83 29.900 30.911 -1.011 2
1 943 . 1 1 A 83 83 GLU N N 83 119.400 121.394 -1.994 2
1 944 . 1 1 A 84 84 VAL H H 84 7.470 7.608 -0.138 2
1 945 . 1 1 A 84 84 VAL HA H 84 4.770 4.607 0.163 2
1 953 . 1 1 A 84 84 VAL C C 84 177.100 175.817 1.283 2
1 954 . 1 1 A 84 84 VAL CA C 84 58.500 58.897 -0.397 2
1 955 . 1 1 A 84 84 VAL CB C 84 36.000 35.154 0.846 2
1 958 . 1 1 A 84 84 VAL N N 84 108.000 114.927 -6.927 2
1 959 . 1 1 A 85 85 SER H H 85 8.980 8.966 0.014 2
1 960 . 1 1 A 85 85 SER HA H 85 4.160 4.214 -0.054 2
1 963 . 1 1 A 85 85 SER C C 85 176.900 176.580 0.320 2
1 964 . 1 1 A 85 85 SER CA C 85 61.200 61.228 -0.028 2
1 965 . 1 1 A 85 85 SER CB C 85 62.600 62.929 -0.329 2
1 966 . 1 1 A 85 85 SER N N 85 120.300 119.442 0.858 2
1 967 . 1 1 A 86 86 ALA H H 86 8.370 8.241 0.129 2
1 968 . 1 1 A 86 86 ALA HA H 86 4.000 3.948 0.052 2
1 972 . 1 1 A 86 86 ALA C C 86 180.500 179.815 0.685 2
1 973 . 1 1 A 86 86 ALA CA C 86 55.600 55.392 0.208 2
1 974 . 1 1 A 86 86 ALA CB C 86 18.500 18.355 0.145 2
1 975 . 1 1 A 86 86 ALA N N 86 121.800 123.379 -1.579 2
1 976 . 1 1 A 87 87 GLU H H 87 6.920 7.912 -0.992 2
1 977 . 1 1 A 87 87 GLU HA H 87 3.640 3.889 -0.249 2
1 982 . 1 1 A 87 87 GLU C C 87 176.700 178.796 -2.096 2
1 983 . 1 1 A 87 87 GLU CA C 87 58.000 59.084 -1.084 2
1 984 . 1 1 A 87 87 GLU CB C 87 29.300 28.994 0.306 2
1 986 . 1 1 A 87 87 GLU N N 87 114.800 117.846 -3.046 2
1 987 . 1 1 A 88 88 LYS H H 88 6.520 7.795 -1.275 2
1 988 . 1 1 A 88 88 LYS HA H 88 3.140 3.818 -0.678 2
1 997 . 1 1 A 88 88 LYS C C 88 178.100 178.873 -0.773 2
1 998 . 1 1 A 88 88 LYS CA C 88 59.700 59.134 0.566 2
1 999 . 1 1 A 88 88 LYS CB C 88 32.300 32.141 0.159 2
1 1003 . 1 1 A 88 88 LYS N N 88 119.900 121.133 -1.233 2
1 1004 . 1 1 A 89 89 LEU H H 89 7.920 7.761 0.159 2
1 1005 . 1 1 A 89 89 LEU HA H 89 4.080 4.027 0.053 2
1 1015 . 1 1 A 89 89 LEU C C 89 179.900 179.059 0.841 2
1 1016 . 1 1 A 89 89 LEU CA C 89 58.000 58.055 -0.055 2
1 1017 . 1 1 A 89 89 LEU CB C 89 41.500 41.744 -0.244 2
1 1021 . 1 1 A 89 89 LEU N N 89 118.200 119.275 -1.075 2
1 1022 . 1 1 A 90 90 ILE H H 90 7.570 7.719 -0.149 2
1 1023 . 1 1 A 90 90 ILE HA H 90 3.710 3.587 0.123 2
1 1033 . 1 1 A 90 90 ILE C C 90 178.000 178.240 -0.240 2
1 1034 . 1 1 A 90 90 ILE CA C 90 64.700 65.013 -0.313 2
1 1035 . 1 1 A 90 90 ILE CB C 90 37.600 37.662 -0.062 2
1 1039 . 1 1 A 90 90 ILE N N 90 120.400 119.411 0.989 2
1 1040 . 1 1 A 91 91 PHE H H 91 8.180 8.814 -0.634 2
1 1041 . 1 1 A 91 91 PHE HA H 91 3.920 3.876 0.044 2
1 1049 . 1 1 A 91 91 PHE C C 91 177.200 177.416 -0.216 2
1 1050 . 1 1 A 91 91 PHE CA C 91 61.600 61.462 0.138 2
1 1051 . 1 1 A 91 91 PHE CB C 91 39.600 39.178 0.422 2
1 1057 . 1 1 A 91 91 PHE N N 91 120.100 120.071 0.029 2
1 1058 . 1 1 A 92 92 GLU H H 92 8.470 8.482 -0.011 2
1 1059 . 1 1 A 92 92 GLU HA H 92 3.620 3.998 -0.378 2
1 1064 . 1 1 A 92 92 GLU C C 92 179.100 178.780 0.320 2
1 1065 . 1 1 A 92 92 GLU CA C 92 60.100 59.047 1.053 2
1 1066 . 1 1 A 92 92 GLU CB C 92 29.300 29.422 -0.122 2
1 1068 . 1 1 A 92 92 GLU N N 92 118.800 119.059 -0.259 2
1 1069 . 1 1 A 93 93 LEU H H 93 7.980 8.085 -0.105 2
1 1070 . 1 1 A 93 93 LEU HA H 93 4.000 3.973 0.027 2
1 1080 . 1 1 A 93 93 LEU C C 93 180.600 178.578 2.022 2
1 1081 . 1 1 A 93 93 LEU CA C 93 58.300 57.945 0.355 2
1 1082 . 1 1 A 93 93 LEU CB C 93 41.700 41.594 0.106 2
1 1086 . 1 1 A 93 93 LEU N N 93 120.800 120.986 -0.186 2
1 1087 . 1 1 A 94 94 LYS H H 94 8.340 7.987 0.353 2
1 1088 . 1 1 A 94 94 LYS HA H 94 3.990 3.837 0.153 2
1 1097 . 1 1 A 94 94 LYS C C 94 179.600 179.090 0.510 2
1 1098 . 1 1 A 94 94 LYS CA C 94 59.200 59.338 -0.138 2
1 1099 . 1 1 A 94 94 LYS CB C 94 33.100 32.056 1.044 2
1 1103 . 1 1 A 94 94 LYS N N 94 119.300 118.872 0.428 2
1 1104 . 1 1 A 95 95 THR H H 95 8.100 7.799 0.301 2
1 1105 . 1 1 A 95 95 THR HA H 95 3.640 3.408 0.232 2
1 1110 . 1 1 A 95 95 THR C C 95 176.800 176.564 0.236 2
1 1111 . 1 1 A 95 95 THR CA C 95 63.800 65.457 -1.657 2
1 1112 . 1 1 A 95 95 THR CB C 95 68.900 67.683 1.217 2
1 1114 . 1 1 A 95 95 THR N N 95 109.700 113.185 -3.485 2
1 1115 . 1 1 A 96 96 ARG H H 96 7.570 8.069 -0.499 2
1 1116 . 1 1 A 96 96 ARG HA H 96 4.060 3.993 0.067 2
1 1124 . 1 1 A 96 96 ARG C C 96 178.300 178.479 -0.179 2
1 1125 . 1 1 A 96 96 ARG CA C 96 59.500 59.786 -0.286 2
1 1126 . 1 1 A 96 96 ARG CB C 96 29.800 29.772 0.028 2
1 1130 . 1 1 A 96 96 ARG N N 96 123.200 121.728 1.472 2
1 1132 . 1 1 A 97 97 ALA H H 97 7.520 7.910 -0.390 2
1 1133 . 1 1 A 97 97 ALA HA H 97 4.130 4.049 0.081 2
1 1137 . 1 1 A 97 97 ALA C C 97 179.500 180.220 -0.720 2
1 1138 . 1 1 A 97 97 ALA CA C 97 54.100 54.967 -0.867 2
1 1139 . 1 1 A 97 97 ALA CB C 97 18.200 18.107 0.093 2
1 1140 . 1 1 A 97 97 ALA N N 97 119.700 121.922 -2.222 2
1 1141 . 1 1 A 98 98 LEU H H 98 7.370 7.890 -0.520 2
1 1142 . 1 1 A 98 98 LEU HA H 98 4.070 3.982 0.088 2
1 1152 . 1 1 A 98 98 LEU C C 98 178.800 178.599 0.201 2
1 1153 . 1 1 A 98 98 LEU CA C 98 56.500 57.764 -1.264 2
1 1154 . 1 1 A 98 98 LEU CB C 98 41.700 41.385 0.315 2
1 1158 . 1 1 A 98 98 LEU N N 98 118.300 119.612 -1.312 2
1 1159 . 1 1 A 99 99 ALA H H 99 7.940 8.147 -0.207 2
1 1160 . 1 1 A 99 99 ALA HA H 99 4.250 4.097 0.153 2
1 1164 . 1 1 A 99 99 ALA C C 99 179.100 179.326 -0.225 2
1 1165 . 1 1 A 99 99 ALA CA C 99 53.600 55.050 -1.450 2
1 1166 . 1 1 A 99 99 ALA CB C 99 18.600 18.283 0.317 2
1 1167 . 1 1 A 99 99 ALA N N 99 122.100 121.199 0.901 2
1 1168 . 1 1 A 100 100 ARG H H 100 7.840 7.919 -0.079 2
1 1169 . 1 1 A 100 100 ARG HA H 100 4.210 4.258 -0.048 2
1 1176 . 1 1 A 100 100 ARG C C 100 177.100 176.369 0.731 2
1 1177 . 1 1 A 100 100 ARG CA C 100 57.100 57.247 -0.147 2
1 1178 . 1 1 A 100 100 ARG CB C 100 30.300 30.419 -0.119 2
1 1181 . 1 1 A 100 100 ARG N N 100 117.900 116.205 1.695 2
1 1182 . 1 1 A 101 101 LEU H H 101 7.890 7.860 0.030 2
1 1183 . 1 1 A 101 101 LEU HA H 101 4.240 4.239 0.001 2
1 1193 . 1 1 A 101 101 LEU C C 101 177.800 175.974 1.826 2
1 1194 . 1 1 A 101 101 LEU CA C 101 55.700 55.541 0.159 2
1 1195 . 1 1 A 101 101 LEU CB C 101 41.900 41.700 0.200 2
1 1199 . 1 1 A 101 101 LEU N N 101 120.800 119.200 1.600 2
1 1200 . 1 1 A 102 102 GLU H H 102 8.040 8.403 -0.363 2
1 1201 . 1 1 A 102 102 GLU HA H 102 4.240 4.385 -0.145 2
1 1206 . 1 1 A 102 102 GLU C C 102 176.500 176.147 0.353 2
1 1207 . 1 1 A 102 102 GLU CA C 102 56.600 56.372 0.228 2
1 1208 . 1 1 A 102 102 GLU CB C 102 30.000 30.339 -0.339 2
1 1210 . 1 1 A 102 102 GLU N N 102 120.100 121.537 -1.437 2
1 1211 . 1 1 A 103 103 HIS H H 103 8.200 8.532 -0.332 2
1 1212 . 1 1 A 103 103 HIS HA H 103 4.540 4.566 -0.026 2
1 1216 . 1 1 A 103 103 HIS CA C 103 56.100 56.822 -0.722 2
1 1217 . 1 1 A 103 103 HIS CB C 103 29.900 29.967 -0.067 2
1 1218 . 1 1 A 103 103 HIS N N 103 119.200 122.273 -3.073 2
1 1219 . 1 1 A 107 107 HIS HA H 107 4.560 4.478 0.082 2
1 1222 . 1 1 A 107 107 HIS C C 107 173.800 175.238 -1.438 2
1 1223 . 1 1 A 107 107 HIS CA C 107 55.800 57.184 -1.384 2
1 1224 . 1 1 A 107 107 HIS CB C 107 29.900 30.688 -0.788 2
stop_
save_