data_2nnt_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2nnt _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.423 ' HG2' HH22 ' B' ' 324' ' ' ARG . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' B' ' 312' ' ' LYS . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' B' ' 310' ' ' GLU 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.423 HH22 ' HG2' ' A' ' 207' ' ' GLU . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . 0.439 ' C ' ' HG1' ' C' ' 409' ' ' THR . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 409' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' C' ' 408' ' ' TRP 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 3.687 0 N-CA-C 114.936 0.735 . . . . 0.6 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . 0.511 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . 0.511 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 417' ' ' LYS . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' C' ' 415' ' ' ASP . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' D' ' 519' ' ' PHE . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' C' ' 419' ' ' PHE . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.575 0 CA-C-O 124.49 2.161 . . . . 0.6 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 300' ' ' MET . . . . . 0.505 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . 0.505 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . 0.404 ' HG3' ' HE3' ' B' ' 312' ' ' LYS . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' B' ' 310' ' ' GLU . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . 0.496 ' C ' ' HG ' ' D' ' 506' ' ' SER . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 506' ' ' SER . . . . . 0.496 ' HG ' ' C ' ' D' ' 505' ' ' VAL 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 309' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 409' ' ' THR . . . . . 0.404 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' D' ' 507' ' ' GLU . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' C' ' 424' ' ' ARG . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.965 0 N-CA-C 111.698 -0.561 . . . . 0.6 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 228' ' ' SER . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.564 ' HB3' HH22 ' B' ' 324' ' ' ARG . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 203' ' ' THR . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.564 HH22 ' HB3' ' A' ' 207' ' ' GLU . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . 0.434 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.856 0 CA-C-O 123.024 1.347 . . . . 0.6 115.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 428' ' ' SER . . . . . 0.526 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . 0.415 ' C ' ' HG ' ' D' ' 506' ' ' SER . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 506' ' ' SER . . . . . 0.415 ' HG ' ' C ' ' D' ' 505' ' ' VAL 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 528' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . 0.575 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . 0.575 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 N-CA-C 110.87 -0.892 . . . . 0.6 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' THR . . . . . 0.456 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . 0.456 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . 0.518 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . 0.519 ' CD ' HH21 ' D' ' 524' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . 0.519 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' C' ' 430' ' ' TRP . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . 0.419 ' CG ' ' HA3' ' C' ' 401' ' ' GLY . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.662 0 N-CA-C 103.67 -3.772 . . . . 0.6 103.67 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' B' ' 302' ' ' ALA . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.403 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 302' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 202' ' ' ALA . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 507' ' ' GLU . . . . . 0.448 ' CD ' HH21 ' D' ' 524' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 524' ' ' ARG . . . . . 0.448 HH21 ' CD ' ' D' ' 507' ' ' GLU . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.503 2.211 0 N-CA-C 112.999 0.741 . . . . 0.6 112.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 129.5 129.1 3.1 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 -165.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.423 ' HG2' HH22 ' B' ' 324' ' ' ARG . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . 0.43 ' HA ' ' CG ' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . 0.478 ' HG2' ' HE3' ' B' ' 312' ' ' LYS . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . 0.478 ' HE3' ' HG2' ' B' ' 310' ' ' GLU 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.423 HH22 ' HG2' ' A' ' 207' ' ' GLU . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . 0.43 ' CG ' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . 0.439 ' C ' ' HG1' ' C' ' 409' ' ' THR . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 409' ' ' THR . . . . . 0.439 ' HG1' ' C ' ' C' ' 408' ' ' TRP 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 C--O 1.248 1.007 0 N-CA-C 105.764 -1.939 . . . . 0.6 105.764 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.33 -160.19 31.93 Favored Glycine 0 CA--C 1.573 3.687 0 CA-C-N 121.96 2.164 . . . . 0.6 114.936 164.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . 0.511 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . 0.511 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' C' ' 417' ' ' LYS . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' C' ' 415' ' ' ASP . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' D' ' 519' ' ' PHE . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . 0.443 ' HB2' ' CD2' ' C' ' 419' ' ' PHE . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 29.2 tpp . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 126.284 2.945 . . . . 0.6 111.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.96 15.21 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 111.209 -2.723 . . . . 0.6 110.493 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 300' ' ' MET . . . . . 0.505 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . 0.505 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . 0.404 ' HG3' ' HE3' ' B' ' 312' ' ' LYS . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . 0.404 ' HE3' ' HG3' ' B' ' 310' ' ' GLU . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . 0.496 ' C ' ' HG ' ' D' ' 506' ' ' SER . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 506' ' ' SER . . . . . 0.496 ' HG ' ' C ' ' D' ' 505' ' ' VAL 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.528 3.442 0 CA-C-O 126.53 3.062 . . . . 0.6 105.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.92 131.23 1.2 Allowed Glycine 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 309' ' ' THR . . . . . 0.404 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . 0.481 HD11 ' CG1' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 409' ' ' THR . . . . . 0.404 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . 0.425 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' D' ' 507' ' ' GLU . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' C' ' 424' ' ' ARG . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 104.399 -2.445 . . . . 0.6 104.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 172.46 155.17 10.91 Favored Glycine 0 CA--C 1.561 2.965 0 O-C-N 126.492 2.37 . . . . 0.6 111.698 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' THR . . . . . 0.439 HG22 ' HA ' ' A' ' 228' ' ' SER . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.564 ' HB3' HH22 ' B' ' 324' ' ' ARG . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' SER . . . . . 0.439 ' HA ' HG22 ' A' ' 203' ' ' THR . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.564 HH22 ' HB3' ' A' ' 207' ' ' GLU . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . 0.434 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.863 1.06 . . . . 0.6 113.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 130.14 178.56 15.48 Favored Glycine 0 N--CA 1.428 -1.856 0 C-N-CA 129.09 3.233 . . . . 0.6 115.455 171.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 428' ' ' SER . . . . . 0.526 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . 0.415 ' C ' ' HG ' ' D' ' 506' ' ' SER . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 506' ' ' SER . . . . . 0.415 ' HG ' ' C ' ' D' ' 505' ' ' VAL 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 528' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 107.667 -1.235 . . . . 0.6 107.667 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -178.02 112.14 0.36 Allowed Glycine 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.575 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . 0.422 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . 0.575 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . 0.336 11.2 tmm? . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 117.176 -1.392 . . . . 0.6 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 143.69 127.15 2.05 Favored Glycine 0 N--CA 1.479 1.53 0 C-N-CA 125.806 1.67 . . . . 0.6 110.87 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' THR . . . . . 0.456 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.456 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . 0.518 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . 0.519 ' CD ' HH21 ' D' ' 524' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . 0.519 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.6 tmm? . . . . . 0 C--O 1.267 1.996 0 N-CA-C 107.635 -1.246 . . . . 0.6 107.635 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 149.5 140.06 3.2 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . 0.419 ' HA3' ' CG ' ' C' ' 430' ' ' TRP . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . 0.419 ' CG ' ' HA3' ' C' ' 401' ' ' GLY . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 CA--C 1.567 1.597 0 CA-C-O 126.563 3.078 . . . . 0.6 104.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 163.82 140.45 2.88 Favored Glycine 0 CA--C 1.557 2.662 1 O-C-N 116.014 -4.179 . . . . 0.6 103.67 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' B' ' 302' ' ' ALA . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.403 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 302' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 202' ' ' ALA . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 507' ' ' GLU . . . . . 0.448 ' CD ' HH21 ' D' ' 524' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 524' ' ' ARG . . . . . 0.448 HH21 ' CD ' ' D' ' 507' ' ' GLU . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 226' ' ' LEU . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 205' ' ' VAL . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 303' ' ' THR . . . . . 0.486 ' HB ' HG22 ' C' ' 403' ' ' THR . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.536 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.536 HD11 ' CG1' ' B' ' 305' ' ' VAL . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 327' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 403' ' ' THR . . . . . 0.486 HG22 ' HB ' ' B' ' 303' ' ' THR . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 413' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 513' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 3.687 0 N-CA-C 114.936 0.735 . . . . 0.6 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 226' ' ' LEU . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' B' ' 309' ' ' THR . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 205' ' ' VAL . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 302' ' ' ALA . . . . . 0.708 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 303' ' ' THR . . . . . 0.42 ' HB ' HG22 ' C' ' 403' ' ' THR . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 309' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 326' ' ' LEU . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 402' ' ' ALA . . . . . 0.708 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 403' ' ' THR . . . . . 0.42 HG22 ' HB ' ' B' ' 303' ' ' THR . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 407' ' ' GLU . . . . . 0.432 ' CD ' ' HE ' ' C' ' 424' ' ' ARG . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 409' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 414' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 424' ' ' ARG . . . . . 0.432 ' HE ' ' CD ' ' C' ' 407' ' ' GLU . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 514' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.575 0 CA-C-O 124.49 2.161 . . . . 0.6 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' B' ' 327' ' ' GLU . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 300' ' ' MET . . . . . 0.47 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 301' ' ' GLY . . . . . 0.47 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 303' ' ' THR . . . . . 0.535 ' HB ' HG22 ' C' ' 403' ' ' THR . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.437 ' HB ' HD21 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 313' ' ' THR . . . . . 0.441 HG21 ' OG1' ' B' ' 318' ' ' THR . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 318' ' ' THR . . . . . 0.441 ' OG1' HG21 ' B' ' 313' ' ' THR . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 322' ' ' ASN . . . . . 0.438 HD21 ' HB2' ' B' ' 324' ' ' ARG . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.438 ' HB2' HD21 ' B' ' 322' ' ' ASN . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 305' ' ' VAL . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 327' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 403' ' ' THR . . . . . 0.535 HG22 ' HB ' ' B' ' 303' ' ' THR 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.557 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' B' ' 305' ' ' VAL . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' B' ' 326' ' ' LEU . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 303' ' ' THR . . . . . 0.561 ' HB ' HG22 ' C' ' 403' ' ' THR . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.681 ' HB ' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 318' ' ' THR . . . . . 0.453 ' HB ' HG23 ' C' ' 418' ' ' THR . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 325' ' ' THR . . . . . 0.431 ' O ' HD23 ' A' ' 226' ' ' LEU . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.681 HD11 ' HB ' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 327' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' B' B ' 328' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' C' ' 429' ' ' THR . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 400' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' C' ' 402' ' ' ALA 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 401' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' C' ' 430' ' ' TRP . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 402' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' C' ' 400' ' ' MET . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 403' ' ' THR . . . . . 0.561 HG22 ' HB ' ' B' ' 303' ' ' THR . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 414' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 418' ' ' THR . . . . . 0.453 HG23 ' HB ' ' B' ' 318' ' ' THR 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 429' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' B' ' 328' ' ' SER . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 430' ' ' TRP . . . . . 0.42 ' CE2' ' HA3' ' C' ' 401' ' ' GLY . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 514' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.588 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.965 0 N-CA-C 111.698 -0.561 . . . . 0.6 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 226' ' ' LEU . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 327' ' ' GLU 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.424 HG12 HG12 ' C' ' 405' ' ' VAL 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 326' ' ' LEU . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 327' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 405' ' ' VAL . . . . . 0.52 HG13 ' HG ' ' C' ' 426' ' ' LEU . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 426' ' ' LEU . . . . . 0.52 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 517' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' D' ' 517' ' ' LYS . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.856 0 CA-C-O 123.024 1.347 . . . . 0.6 115.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.521 ' N ' HD13 ' A' ' 226' ' ' LEU . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 224' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 224' ' ' ARG . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 205' ' ' VAL . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 310' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' B' ' 312' ' ' LYS . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 312' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' B' ' 310' ' ' GLU . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 313' ' ' THR . . . . . 0.425 HG21 ' OG1' ' B' ' 318' ' ' THR . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 318' ' ' THR . . . . . 0.425 ' OG1' HG21 ' B' ' 313' ' ' THR . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 428' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 429' ' ' THR . . . . . 0.487 HG23 HG21 ' D' ' 529' ' ' THR . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 528' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 529' ' ' THR . . . . . 0.487 HG21 HG23 ' C' ' 429' ' ' THR . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 226' ' ' LEU . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' GLU . . . . . 0.624 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 224' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 205' ' ' VAL . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 303' ' ' THR . . . . . 0.464 ' HB ' HG22 ' C' ' 403' ' ' THR . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.624 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.498 HD11 HG11 ' B' ' 305' ' ' VAL . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 403' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 303' ' ' THR . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 405' ' ' VAL . . . . . 0.491 HG12 HG12 ' B' ' 305' ' ' VAL . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 507' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' D' ' 524' ' ' ARG . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 N-CA-C 110.87 -0.892 . . . . 0.6 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' THR . . . . . 0.459 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' B' ' 306' ' ' SER . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 306' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 206' ' ' SER . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 313' ' ' THR . . . . . 0.434 HG21 ' OG1' ' B' ' 318' ' ' THR . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 318' ' ' THR . . . . . 0.434 ' OG1' HG21 ' B' ' 313' ' ' THR . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.469 ' N ' HD12 ' B' ' 326' ' ' LEU . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 405' ' ' VAL . . . . . 0.498 HG13 ' HG ' ' C' ' 426' ' ' LEU . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 424' ' ' ARG . . . . . 0.585 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 426' ' ' LEU . . . . . 0.498 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 507' ' ' GLU . . . . . 0.585 ' CD ' HH22 ' C' ' 424' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.478 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 209' ' ' THR . . . . . 0.432 ' HB ' HG23 ' B' ' 309' ' ' THR . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' C' ' 405' ' ' VAL . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 309' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 209' ' ' THR . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 324' ' ' ARG . . . . . 0.473 ' HE ' HG21 ' B' ' 305' ' ' VAL 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 405' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' B' ' 305' ' ' VAL . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 424' ' ' ARG . . . . . 0.442 HH22 ' CD ' ' D' ' 507' ' ' GLU . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 426' ' ' LEU . . . . . 0.538 ' N ' HD13 ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 507' ' ' GLU . . . . . 0.442 ' CD ' HH22 ' C' ' 424' ' ' ARG . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 524' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.662 0 N-CA-C 103.67 -3.772 . . . . 0.6 103.67 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 202' ' ' ALA . . . . . 0.416 ' HB2' ' H ' ' B' ' 301' ' ' GLY . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' B' ' 305' ' ' VAL . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' B' ' 311' ' ' TYR . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 219' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 226' ' ' LEU . . . . . 0.57 HD21 ' HG ' ' B' ' 326' ' ' LEU 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 301' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 202' ' ' ALA . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 305' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 205' ' ' VAL . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 311' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' A' ' 211' ' ' TYR . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 325' ' ' THR . . . . . 0.536 ' C ' HD12 ' B' ' 326' ' ' LEU . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 326' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 226' ' ' LEU . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 424' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' D' ' 507' ' ' GLU . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 507' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' C' ' 424' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.503 2.211 0 N-CA-C 112.999 0.741 . . . . 0.6 112.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 129.5 129.1 3.1 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 -165.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 226' ' ' LEU . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 205' ' ' VAL . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 303' ' ' THR . . . . . 0.486 ' HB ' HG22 ' C' ' 403' ' ' THR . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.536 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.536 HD11 ' CG1' ' B' ' 305' ' ' VAL . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 327' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 403' ' ' THR . . . . . 0.486 HG22 ' HB ' ' B' ' 303' ' ' THR . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 413' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 513' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 C--O 1.248 1.007 0 N-CA-C 105.764 -1.939 . . . . 0.6 105.764 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.33 -160.19 31.93 Favored Glycine 0 CA--C 1.573 3.687 0 CA-C-N 121.96 2.164 . . . . 0.6 114.936 164.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 226' ' ' LEU . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' B' ' 309' ' ' THR . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 205' ' ' VAL . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 302' ' ' ALA . . . . . 0.708 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 303' ' ' THR . . . . . 0.42 ' HB ' HG22 ' C' ' 403' ' ' THR . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 309' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 326' ' ' LEU . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 402' ' ' ALA . . . . . 0.708 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 403' ' ' THR . . . . . 0.42 HG22 ' HB ' ' B' ' 303' ' ' THR . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 407' ' ' GLU . . . . . 0.432 ' CD ' ' HE ' ' C' ' 424' ' ' ARG . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 409' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 414' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 424' ' ' ARG . . . . . 0.432 ' HE ' ' CD ' ' C' ' 407' ' ' GLU . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 514' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 29.2 tpp . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 126.284 2.945 . . . . 0.6 111.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.96 15.21 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 111.209 -2.723 . . . . 0.6 110.493 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' B' ' 327' ' ' GLU . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 300' ' ' MET . . . . . 0.47 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 301' ' ' GLY . . . . . 0.47 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 303' ' ' THR . . . . . 0.535 ' HB ' HG22 ' C' ' 403' ' ' THR . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.437 ' HB ' HD21 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 313' ' ' THR . . . . . 0.441 HG21 ' OG1' ' B' ' 318' ' ' THR . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 318' ' ' THR . . . . . 0.441 ' OG1' HG21 ' B' ' 313' ' ' THR . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 322' ' ' ASN . . . . . 0.438 HD21 ' HB2' ' B' ' 324' ' ' ARG . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.438 ' HB2' HD21 ' B' ' 322' ' ' ASN . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 305' ' ' VAL . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 327' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 403' ' ' THR . . . . . 0.535 HG22 ' HB ' ' B' ' 303' ' ' THR 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.557 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.528 3.442 0 CA-C-O 126.53 3.062 . . . . 0.6 105.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.92 131.23 1.2 Allowed Glycine 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' B' ' 305' ' ' VAL . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' B' ' 326' ' ' LEU . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 303' ' ' THR . . . . . 0.561 ' HB ' HG22 ' C' ' 403' ' ' THR . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.681 ' HB ' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 318' ' ' THR . . . . . 0.453 ' HB ' HG23 ' C' ' 418' ' ' THR . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 325' ' ' THR . . . . . 0.431 ' O ' HD23 ' A' ' 226' ' ' LEU . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.681 HD11 ' HB ' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 327' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 328' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' C' ' 429' ' ' THR . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 400' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' C' ' 402' ' ' ALA 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 401' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' C' ' 430' ' ' TRP . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 402' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' C' ' 400' ' ' MET . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 403' ' ' THR . . . . . 0.561 HG22 ' HB ' ' B' ' 303' ' ' THR . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 414' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 418' ' ' THR . . . . . 0.453 HG23 ' HB ' ' B' ' 318' ' ' THR 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 429' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' B' ' 328' ' ' SER . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 430' ' ' TRP . . . . . 0.42 ' CE2' ' HA3' ' C' ' 401' ' ' GLY . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 514' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.588 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 104.399 -2.445 . . . . 0.6 104.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 172.46 155.17 10.91 Favored Glycine 0 CA--C 1.561 2.965 0 O-C-N 126.492 2.37 . . . . 0.6 111.698 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 226' ' ' LEU . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 327' ' ' GLU 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.424 HG12 HG12 ' C' ' 405' ' ' VAL 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 326' ' ' LEU . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 327' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 405' ' ' VAL . . . . . 0.52 HG13 ' HG ' ' C' ' 426' ' ' LEU . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 426' ' ' LEU . . . . . 0.52 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 517' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' D' ' 517' ' ' LYS . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.863 1.06 . . . . 0.6 113.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 130.14 178.56 15.48 Favored Glycine 0 N--CA 1.428 -1.856 0 C-N-CA 129.09 3.233 . . . . 0.6 115.455 171.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.521 ' N ' HD13 ' A' ' 226' ' ' LEU . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 224' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 224' ' ' ARG . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 205' ' ' VAL . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 310' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' B' ' 312' ' ' LYS . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 312' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' B' ' 310' ' ' GLU . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 313' ' ' THR . . . . . 0.425 HG21 ' OG1' ' B' ' 318' ' ' THR . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 318' ' ' THR . . . . . 0.425 ' OG1' HG21 ' B' ' 313' ' ' THR . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 428' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 429' ' ' THR . . . . . 0.487 HG23 HG21 ' D' ' 529' ' ' THR . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 528' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 529' ' ' THR . . . . . 0.487 HG21 HG23 ' C' ' 429' ' ' THR . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 107.667 -1.235 . . . . 0.6 107.667 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -178.02 112.14 0.36 Allowed Glycine 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 226' ' ' LEU . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' GLU . . . . . 0.624 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 224' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 205' ' ' VAL . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 303' ' ' THR . . . . . 0.464 ' HB ' HG22 ' C' ' 403' ' ' THR . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.624 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.498 HD11 HG11 ' B' ' 305' ' ' VAL . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 403' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 303' ' ' THR . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 405' ' ' VAL . . . . . 0.491 HG12 HG12 ' B' ' 305' ' ' VAL . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 507' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' D' ' 524' ' ' ARG . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . 0.336 11.2 tmm? . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 117.176 -1.392 . . . . 0.6 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 143.69 127.15 2.05 Favored Glycine 0 N--CA 1.479 1.53 0 C-N-CA 125.806 1.67 . . . . 0.6 110.87 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' THR . . . . . 0.459 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' B' ' 306' ' ' SER . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 306' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 206' ' ' SER . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 313' ' ' THR . . . . . 0.434 HG21 ' OG1' ' B' ' 318' ' ' THR . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 318' ' ' THR . . . . . 0.434 ' OG1' HG21 ' B' ' 313' ' ' THR . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.469 ' N ' HD12 ' B' ' 326' ' ' LEU . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 405' ' ' VAL . . . . . 0.498 HG13 ' HG ' ' C' ' 426' ' ' LEU . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 424' ' ' ARG . . . . . 0.585 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 426' ' ' LEU . . . . . 0.498 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 507' ' ' GLU . . . . . 0.585 ' CD ' HH22 ' C' ' 424' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.478 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.6 tmm? . . . . . 0 C--O 1.267 1.996 0 N-CA-C 107.635 -1.246 . . . . 0.6 107.635 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 149.5 140.06 3.2 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 209' ' ' THR . . . . . 0.432 ' HB ' HG23 ' B' ' 309' ' ' THR . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' C' ' 405' ' ' VAL . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 309' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 209' ' ' THR . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 324' ' ' ARG . . . . . 0.473 ' HE ' HG21 ' B' ' 305' ' ' VAL 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 405' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' B' ' 305' ' ' VAL . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 424' ' ' ARG . . . . . 0.442 HH22 ' CD ' ' D' ' 507' ' ' GLU . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 426' ' ' LEU . . . . . 0.538 ' N ' HD13 ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 507' ' ' GLU . . . . . 0.442 ' CD ' HH22 ' C' ' 424' ' ' ARG . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 524' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 CA--C 1.567 1.597 0 CA-C-O 126.563 3.078 . . . . 0.6 104.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 163.82 140.45 2.88 Favored Glycine 0 CA--C 1.557 2.662 1 O-C-N 116.014 -4.179 . . . . 0.6 103.67 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ALA . . . . . 0.416 ' HB2' ' H ' ' B' ' 301' ' ' GLY . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' B' ' 305' ' ' VAL . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' B' ' 311' ' ' TYR . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.57 HD21 ' HG ' ' B' ' 326' ' ' LEU 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 301' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 202' ' ' ALA . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 305' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 205' ' ' VAL . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 311' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' A' ' 211' ' ' TYR . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 325' ' ' THR . . . . . 0.536 ' C ' HD12 ' B' ' 326' ' ' LEU . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 326' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 226' ' ' LEU . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 424' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' D' ' 507' ' ' GLU . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 507' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' C' ' 424' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 226' ' ' LEU . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 205' ' ' VAL . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . 0.486 ' HB ' HG22 ' C' ' 403' ' ' THR . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.536 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.536 HD11 ' CG1' ' B' ' 305' ' ' VAL . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . 0.486 HG22 ' HB ' ' B' ' 303' ' ' THR . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 3.687 0 N-CA-C 114.936 0.735 . . . . 0.6 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 226' ' ' LEU . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' B' ' 309' ' ' THR . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 205' ' ' VAL . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . 0.708 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . 0.42 ' HB ' HG22 ' C' ' 403' ' ' THR . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 326' ' ' LEU . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . 0.708 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . 0.42 HG22 ' HB ' ' B' ' 303' ' ' THR . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . 0.432 ' CD ' ' HE ' ' C' ' 424' ' ' ARG . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . 0.432 ' HE ' ' CD ' ' C' ' 407' ' ' GLU . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.575 0 CA-C-O 124.49 2.161 . . . . 0.6 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' B' ' 327' ' ' GLU . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . 0.47 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . 0.47 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . 0.535 ' HB ' HG22 ' C' ' 403' ' ' THR . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.437 ' HB ' HD21 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . 0.441 HG21 ' OG1' ' B' ' 318' ' ' THR . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . 0.441 ' OG1' HG21 ' B' ' 313' ' ' THR . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . 0.438 HD21 ' HB2' ' B' ' 324' ' ' ARG . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.438 ' HB2' HD21 ' B' ' 322' ' ' ASN . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 305' ' ' VAL . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . 0.535 HG22 ' HB ' ' B' ' 303' ' ' THR 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.557 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' B' ' 305' ' ' VAL . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' B' ' 326' ' ' LEU . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . 0.561 ' HB ' HG22 ' C' ' 403' ' ' THR . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.681 ' HB ' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . 0.453 ' HB ' HG23 ' C' ' 418' ' ' THR . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . 0.431 ' O ' HD23 ' A' ' 226' ' ' LEU . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.681 HD11 ' HB ' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' C' ' 429' ' ' THR . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' C' ' 402' ' ' ALA 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' C' ' 430' ' ' TRP . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' C' ' 400' ' ' MET . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . 0.561 HG22 ' HB ' ' B' ' 303' ' ' THR . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . 0.453 HG23 ' HB ' ' B' ' 318' ' ' THR 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' B' ' 328' ' ' SER . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . 0.42 ' CE2' ' HA3' ' C' ' 401' ' ' GLY . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.588 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.965 0 N-CA-C 111.698 -0.561 . . . . 0.6 111.698 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 226' ' ' LEU . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 327' ' ' GLU 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.424 HG12 HG12 ' C' ' 405' ' ' VAL 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 326' ' ' LEU . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . 0.52 HG13 ' HG ' ' C' ' 426' ' ' LEU . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . 0.52 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' D' ' 517' ' ' LYS . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.856 0 CA-C-O 123.024 1.347 . . . . 0.6 115.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.521 ' N ' HD13 ' A' ' 226' ' ' LEU . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 224' ' ' ARG . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 205' ' ' VAL . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' B' ' 312' ' ' LYS . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' B' ' 310' ' ' GLU . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . 0.425 HG21 ' OG1' ' B' ' 318' ' ' THR . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . 0.425 ' OG1' HG21 ' B' ' 313' ' ' THR . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . 0.487 HG23 HG21 ' D' ' 529' ' ' THR . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . 0.487 HG21 HG23 ' C' ' 429' ' ' THR . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 226' ' ' LEU . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . 0.624 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 205' ' ' VAL . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . 0.464 ' HB ' HG22 ' C' ' 403' ' ' THR . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.624 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.498 HD11 HG11 ' B' ' 305' ' ' VAL . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 303' ' ' THR . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . 0.491 HG12 HG12 ' B' ' 305' ' ' VAL . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' D' ' 524' ' ' ARG . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.53 0 N-CA-C 110.87 -0.892 . . . . 0.6 110.87 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . 0.459 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' B' ' 306' ' ' SER . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 206' ' ' SER . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . 0.434 HG21 ' OG1' ' B' ' 318' ' ' THR . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . 0.434 ' OG1' HG21 ' B' ' 313' ' ' THR . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.469 ' N ' HD12 ' B' ' 326' ' ' LEU . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . 0.498 HG13 ' HG ' ' C' ' 426' ' ' LEU . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . 0.585 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . 0.498 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . 0.585 ' CD ' HH22 ' C' ' 424' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.478 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . 0.432 ' HB ' HG23 ' B' ' 309' ' ' THR . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' C' ' 405' ' ' VAL . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 209' ' ' THR . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . 0.473 ' HE ' HG21 ' B' ' 305' ' ' VAL 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' B' ' 305' ' ' VAL . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . 0.442 HH22 ' CD ' ' D' ' 507' ' ' GLU . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . 0.538 ' N ' HD13 ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . 0.442 ' CD ' HH22 ' C' ' 424' ' ' ARG . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.662 0 N-CA-C 103.67 -3.772 . . . . 0.6 103.67 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' ALA . . . . . 0.416 ' HB2' ' H ' ' B' ' 301' ' ' GLY . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' B' ' 305' ' ' VAL . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' B' ' 311' ' ' TYR . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' LEU . . . . . 0.57 HD21 ' HG ' ' B' ' 326' ' ' LEU 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 301' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 202' ' ' ALA . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 305' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 205' ' ' VAL . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 311' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' A' ' 211' ' ' TYR . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 325' ' ' THR . . . . . 0.536 ' C ' HD12 ' B' ' 326' ' ' LEU . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 226' ' ' LEU . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 424' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' D' ' 507' ' ' GLU . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 507' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' C' ' 424' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.503 2.211 0 N-CA-C 112.999 0.741 . . . . 0.6 112.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 129.5 129.1 3.1 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 108.293 -1.923 . . . . 0.6 108.293 -165.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.06 134.1 2.92 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.825 1.25 . . . . 0.6 112.468 -175.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 22.4 p -136.29 153.94 51.02 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 102.908 -2.997 . . . . 0.6 102.908 -168.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -139.31 127.74 22.9 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 116.132 -1.889 . . . . 0.6 110.472 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.604 ' HB ' HD22 ' A' ' 226' ' ' LEU . 19.3 t -114.81 151.59 16.53 Favored 'Isoleucine or valine' 0 C--O 1.263 1.792 0 O-C-N 125.972 2.045 . . . . 0.6 109.021 175.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 96.8 p -148.77 151.05 34.14 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 113.557 -1.656 . . . . 0.6 109.349 175.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -146.93 170.67 16.6 Favored 'General case' 0 C--N 1.376 1.745 0 CA-C-O 123.617 1.675 . . . . 0.81 112.771 154.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -123.11 133.89 54.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 112.326 -2.215 . . . . 0.6 109.005 170.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.252 98.0 m -133.5 124.16 26.5 Favored 'General case' 0 C--O 1.291 3.239 0 N-CA-C 103.588 -2.745 . . . . 0.6 103.588 -164.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -141.82 100.48 3.76 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-N 113.779 -1.555 . . . . 0.81 110.44 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -132.49 109.45 9.81 Favored 'General case' 0 CA--C 1.488 -1.405 0 O-C-N 127.745 3.153 . . . . 0.6 105.589 -170.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -119.77 95.47 4.79 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 119.142 -2.224 . . . . 0.73 105.676 166.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 5.4 m -93.74 124.08 37.5 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 121.462 1.937 . . . . 0.6 106.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.45 -68.05 0.39 Allowed 'General case' 0 CA--C 1.447 -2.985 0 CA-C-N 113.377 -1.738 . . . . 0.6 110.994 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -100.04 122.15 42.48 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 100.559 -3.867 . . . . 0.8 100.559 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.34 125.66 40.15 Favored Glycine 0 C--N 1.369 2.363 0 CA-C-O 117.661 -1.633 . . . . 0.6 115.129 -171.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -161.0 -53.25 0.05 OUTLIER 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 115.551 1.686 . . . . 0.73 115.551 -156.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.0 p -48.02 126.61 10.99 Favored 'General case' 0 C--O 1.258 1.518 0 C-N-CA 128.838 2.855 . . . . 0.6 116.543 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -108.16 136.99 46.9 Favored 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 103.148 -2.908 . . . . 0.6 103.148 158.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -141.93 94.38 2.66 Favored 'General case' 0 N--CA 1.382 -3.853 0 C-N-CA 127.091 2.157 . . . . 0.6 116.337 168.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -87.71 127.07 35.3 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 113.547 -3.12 . . . . 0.6 104.811 168.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -137.51 89.07 2.39 Favored 'General case' 0 N--CA 1.401 -2.917 0 CA-C-O 126.373 2.987 . . . . 0.71 111.163 -177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -113.72 113.68 25.32 Favored 'General case' 0 C--N 1.373 1.612 0 O-C-N 116.92 -3.612 . . . . 0.71 108.593 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 15.5 ttp85 -140.7 118.57 11.78 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 128.702 2.801 . . . . 0.81 113.299 -176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 40.7 p -77.34 166.13 23.55 Favored 'General case' 0 C--N 1.323 -0.582 1 CA-C-N 107.858 -4.246 . . . . 0.6 112.445 172.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.604 HD22 ' HB ' ' A' ' 205' ' ' VAL . 0.5 OUTLIER -137.16 154.37 50.26 Favored 'General case' 0 C--O 1.289 3.145 0 C-N-CA 116.972 -1.891 . . . . 0.6 114.05 132.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.411 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 1.1 mt-10 -128.65 77.1 1.76 Allowed 'General case' 0 C--N 1.296 -1.76 0 O-C-N 126.657 2.473 . . . . 0.81 113.339 -157.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.5 m -68.96 -62.56 1.33 Allowed 'General case' 0 C--N 1.351 0.642 0 O-C-N 128.426 3.579 . . . . 0.6 111.638 -167.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 68.2 p -98.51 -58.83 1.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 114.432 -2.699 . . . . 0.6 106.731 -156.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 C--O 1.188 -2.17 0 CA-C-N 121.437 1.926 . . . . 0.6 113.982 -178.349 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.076 0 N-CA-C 113.245 0.832 . . . . 0.6 113.245 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 145.59 105.5 0.46 Allowed Glycine 1 N--CA 1.368 -5.845 0 C-N-CA 125.876 1.703 . . . . 0.6 113.827 175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 81.62 -147.03 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 C-N-CA 129.282 3.033 . . . . 0.6 106.491 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . 0.486 ' HB ' HG22 ' C' ' 403' ' ' THR . 17.2 m -148.31 129.61 14.7 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.908 -1.12 . . . . 0.6 110.939 -134.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -126.73 139.89 52.8 Favored 'General case' 0 C--N 1.379 1.891 0 O-C-N 125.546 1.779 . . . . 0.6 109.516 -172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.536 ' CG1' HD11 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -129.36 154.62 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.349 0 CA-C-O 124.31 2.005 . . . . 0.6 111.433 169.729 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 46.5 m -137.69 151.74 48.54 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 114.159 -1.382 . . . . 0.6 109.723 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.2 144.53 42.91 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-O 117.38 -1.295 . . . . 0.81 111.217 164.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -125.34 77.7 1.66 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 128.058 2.543 . . . . 0.6 111.36 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.26 91.3 m -103.93 128.74 51.45 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 118.167 -2.833 . . . . 0.6 112.599 -162.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -130.36 100.24 5.3 Favored 'General case' 0 CA--C 1.506 -0.712 0 C-N-CA 127.387 2.275 . . . . 0.81 107.269 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.84 109.9 21.93 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-O 116.055 -1.926 . . . . 0.6 108.022 175.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . 0.27 35.4 mmtp -135.77 71.96 1.43 Allowed 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 124.33 2.014 . . . . 0.73 107.283 -175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 63.6 m -116.82 103.6 10.48 Favored 'General case' 0 N--CA 1.523 3.181 0 CA-C-N 112.084 -2.325 . . . . 0.6 109.587 173.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . 0.268 . . -55.84 -52.63 63.35 Favored 'General case' 0 CA--C 1.576 1.972 0 C-N-CA 126.457 1.903 . . . . 0.6 111.717 -177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.19 134.17 53.12 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 113.019 0.748 . . . . 0.8 113.019 -167.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -63.88 94.05 0.13 Allowed Glycine 0 CA--C 1.575 3.813 0 C-N-CA 124.385 0.993 . . . . 0.6 110.829 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.34 -42.78 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.062 0 O-C-N 120.654 -1.498 . . . . 0.73 110.561 -164.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 18.1 m -48.98 140.12 9.4 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.747 1.158 . . . . 0.6 112.772 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -118.22 121.86 41.52 Favored 'General case' 0 CA--C 1.598 2.812 0 N-CA-C 102.573 -3.121 . . . . 0.6 102.573 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 104.612 -2.366 . . . . 0.6 104.612 172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.304 4.7 t80 -134.47 124.95 26.43 Favored 'General case' 0 CA--C 1.6 2.901 0 O-C-N 127.079 2.737 . . . . 0.6 104.373 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -121.3 136.1 55.01 Favored 'General case' 0 C--O 1.211 -0.943 0 C-N-CA 124.968 1.307 . . . . 0.71 110.743 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -144.51 94.15 2.52 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 120.048 1.294 . . . . 0.71 111.003 -171.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -113.21 128.3 56.44 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 103.056 -2.942 . . . . 0.81 103.056 -154.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.8 m -140.18 132.1 27.69 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.166 -1.873 . . . . 0.6 108.25 -177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.536 HD11 ' CG1' ' B' ' 305' ' ' VAL . 4.8 mp -125.09 101.63 7.12 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 106.349 -1.722 . . . . 0.6 106.349 177.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.3 OUTLIER -82.04 150.15 27.73 Favored 'General case' 0 C--O 1.255 1.363 0 C-N-CA 118.573 -1.251 . . . . 0.81 110.314 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 80.9 p -143.15 122.66 13.19 Favored 'General case' 0 CA--C 1.442 -3.196 0 O-C-N 118.008 -2.932 . . . . 0.6 106.489 139.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 11.7 p -126.7 161.44 28.11 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-N 124.402 3.274 . . . . 0.6 113.605 -166.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 . . . . . 0 N--CA 1.4 -2.927 0 C-N-CA 130.67 3.588 . . . . 0.6 111.471 -176.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 55.4 ttm . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 123.406 1.574 . . . . 0.6 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 63.36 63.21 4.69 Favored Glycine 0 CA--C 1.545 1.912 0 CA-C-N 111.324 -2.671 . . . . 0.6 114.1 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -169.17 155.15 6.34 Favored 'General case' 0 C--N 1.288 -2.074 0 CA-C-N 114.062 -1.069 . . . . 0.6 111.631 -170.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . 0.486 HG22 ' HB ' ' B' ' 303' ' ' THR . 62.6 p -131.28 130.81 43.29 Favored 'General case' 0 N--CA 1.426 -1.632 0 C-N-CA 126.391 1.876 . . . . 0.6 113.66 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.6 156.78 43.48 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 114.838 1.421 . . . . 0.6 114.838 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 2.2 m -126.86 104.3 12.43 Favored 'Isoleucine or valine' 0 C--O 1.293 3.36 0 CA-C-O 125.291 2.472 . . . . 0.6 107.011 -167.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 22.0 m -101.69 66.08 1.05 Allowed 'General case' 0 C--O 1.172 -3.012 0 C-N-CA 127.184 2.194 . . . . 0.6 108.291 -176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -87.72 138.91 31.05 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-N 113.669 -1.605 . . . . 0.81 109.479 173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -130.55 133.34 46.14 Favored 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 129.621 3.169 . . . . 0.6 106.569 173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.288 77.8 m -148.41 109.0 4.17 Favored 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 129.32 3.048 . . . . 0.6 110.291 -177.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.95 108.02 19.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 117.128 -3.483 . . . . 0.81 110.355 152.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -105.09 129.54 53.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 112.12 -2.309 . . . . 0.6 108.437 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -134.78 139.37 45.08 Favored 'General case' 0 C--O 1.261 1.672 0 O-C-N 119.479 -2.013 . . . . 0.73 113.244 165.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' D' ' 513' ' ' THR . 6.6 m -149.98 148.38 29.0 Favored 'General case' 0 N--CA 1.424 -1.741 0 N-CA-C 101.857 -3.386 . . . . 0.6 101.857 -174.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -84.49 -63.62 1.31 Allowed 'General case' 0 CA--C 1.576 1.979 0 O-C-N 119.062 -2.274 . . . . 0.6 110.235 169.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -107.2 128.6 54.56 Favored 'General case' 0 N--CA 1.421 -1.925 0 C-N-CA 124.399 1.079 . . . . 0.8 113.569 -163.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -59.4 -28.77 65.21 Favored Glycine 0 C--N 1.357 1.709 0 N-CA-C 119.371 2.509 . . . . 0.6 119.371 -161.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -41.7 -12.86 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 N-CA-C 118.153 2.649 . . . . 0.73 118.153 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.279 1.2 m -69.38 155.66 40.07 Favored 'General case' 0 CA--C 1.594 2.652 0 O-C-N 123.876 0.735 . . . . 0.6 111.466 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . 0.4 ' CE1' ' CD2' ' D' ' 519' ' ' PHE . 97.0 m-85 -116.47 126.89 54.02 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 107.867 -1.16 . . . . 0.6 107.867 -174.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' D' ' 520' ' ' TYR . 65.1 t80 -133.45 134.75 43.96 Favored 'General case' 0 N--CA 1.525 3.317 0 N-CA-C 105.112 -2.181 . . . . 0.6 105.112 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.28 137.41 32.46 Favored 'General case' 0 N--CA 1.409 -2.489 0 O-C-N 125.636 1.835 . . . . 0.6 109.892 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -134.15 121.18 21.06 Favored 'General case' 0 CA--C 1.565 1.528 0 C-N-CA 130.221 3.408 . . . . 0.71 118.359 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -133.39 81.54 1.94 Allowed 'General case' 0 C--N 1.311 -1.067 0 O-C-N 127.128 2.767 . . . . 0.71 108.701 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -76.91 143.15 39.78 Favored 'General case' 0 CA--C 1.475 -1.913 0 CA-C-O 123.386 1.565 . . . . 0.81 112.073 166.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 2.3 m -144.12 132.93 22.52 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 111.933 -2.394 . . . . 0.6 110.983 169.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -145.67 131.14 18.71 Favored 'General case' 0 CA--C 1.582 2.2 0 O-C-N 126.706 2.504 . . . . 0.6 111.782 179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -144.53 116.98 8.55 Favored 'General case' 0 CA--C 1.568 1.65 1 CA-C-O 128.643 4.068 . . . . 0.81 112.32 -169.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.9 m -94.72 108.81 20.8 Favored 'General case' 0 N--CA 1.404 -2.761 1 CA-C-N 107.68 -4.327 . . . . 0.6 108.343 -173.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.57 105.01 3.11 Favored 'General case' 0 CA--C 1.568 1.66 0 C-N-CA 128.061 2.545 . . . . 0.6 106.363 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 . . . . . 0 C--O 1.271 2.237 0 CA-C-O 115.647 -2.12 . . . . 0.6 116.346 175.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.373 1.3 pmm? . . . . . 0 N--CA 1.429 -1.521 0 CA-C-O 116.584 -1.674 . . . . 0.6 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.52 -176.26 16.1 Favored Glycine 0 CA--C 1.488 -1.655 0 O-C-N 124.107 0.88 . . . . 0.6 111.771 179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -88.94 159.62 17.56 Favored 'General case' 0 C--O 1.248 1.006 0 O-C-N 126.828 2.134 . . . . 0.6 108.114 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.284 0.6 OUTLIER -144.72 136.09 25.32 Favored 'General case' 0 C--O 1.281 2.756 0 O-C-N 121.206 -0.934 . . . . 0.6 113.186 -164.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -146.54 128.58 15.55 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 123.407 1.575 . . . . 0.6 113.257 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 5.0 p -109.03 151.71 11.29 Favored 'Isoleucine or valine' 0 C--N 1.373 1.628 0 CA-C-N 110.449 -3.068 . . . . 0.6 110.885 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 13.2 p -172.8 89.29 0.09 Allowed 'General case' 0 CA--C 1.477 -1.849 0 C-N-CA 118.96 -1.096 . . . . 0.6 109.043 -157.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.61 121.73 33.03 Favored 'General case' 0 C--N 1.377 1.779 0 CA-C-O 117.322 -1.323 . . . . 0.81 109.683 -161.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.06 75.91 1.56 Allowed 'General case' 0 C--O 1.278 2.563 0 C-N-CA 127.583 2.353 . . . . 0.6 109.181 -176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 27.7 p -99.02 80.43 2.47 Favored 'General case' 0 N--CA 1.417 -2.088 0 O-C-N 126.584 2.427 . . . . 0.6 110.296 -167.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -91.91 98.93 11.88 Favored 'General case' 0 C--O 1.186 -2.271 1 O-C-N 114.697 -5.002 . . . . 0.81 105.962 173.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -120.05 116.48 25.81 Favored 'General case' 0 C--O 1.29 3.231 0 CA-C-O 124.961 2.315 . . . . 0.6 106.664 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.6 tmtm? -116.84 106.98 14.06 Favored 'General case' 0 C--O 1.271 2.209 0 O-C-N 116.596 -3.815 . . . . 0.73 107.539 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.2 OUTLIER -102.38 131.52 48.96 Favored 'General case' 0 CA--C 1.562 1.406 0 N-CA-C 102.097 -3.298 . . . . 0.6 102.097 167.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.36 -47.26 84.95 Favored 'General case' 0 CA--C 1.583 2.212 0 C-N-CA 126.182 1.793 . . . . 0.6 109.076 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.19 96.33 4.88 Favored 'General case' 0 C--O 1.265 1.92 0 C-N-CA 127.845 2.458 . . . . 0.8 113.387 167.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -73.92 64.46 1.93 Allowed Glycine 0 N--CA 1.412 -2.933 0 N-CA-C 117.744 1.858 . . . . 0.6 117.744 -170.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -87.89 47.6 1.52 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 106.956 -1.498 . . . . 0.73 106.956 167.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 9.5 m -72.22 143.21 48.92 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 116.632 2.086 . . . . 0.6 116.632 -157.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . 0.4 ' CD2' ' CE1' ' C' ' 419' ' ' PHE . 58.1 m-85 -111.05 108.91 18.78 Favored 'General case' 0 CA--C 1.627 3.915 0 C-N-CA 126.719 2.007 . . . . 0.6 108.927 158.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' C' ' 420' ' ' TYR . 67.3 t80 -154.13 104.44 2.63 Favored 'General case' 0 C--O 1.28 2.7 0 C-N-CA 126.804 2.041 . . . . 0.6 107.529 -165.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -107.43 126.89 53.06 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 103.477 -2.786 . . . . 0.6 103.477 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . 0.251 23.0 t-20 -140.09 119.36 12.89 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 127.404 2.281 . . . . 0.71 111.225 177.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -128.36 131.11 48.57 Favored 'General case' 0 CA--C 1.473 -1.991 0 O-C-N 119.095 -2.253 . . . . 0.71 109.326 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -97.68 121.98 40.23 Favored 'General case' 0 N--CA 1.495 1.775 0 CA-C-O 117.388 -1.291 . . . . 0.81 112.63 150.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.2 m -105.75 125.34 50.88 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-N 121.404 1.911 . . . . 0.6 106.164 157.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -146.41 99.12 3.18 Favored 'General case' 0 C--O 1.257 1.455 0 N-CA-C 104.702 -2.333 . . . . 0.6 104.702 -151.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -126.32 130.84 51.6 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 116.712 -3.742 . . . . 0.81 107.131 -171.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 9.3 t -92.17 17.03 10.16 Favored 'General case' 0 C--O 1.184 -2.381 0 C-N-CA 128.265 2.626 . . . . 0.6 109.552 167.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.288 72.3 m 59.39 69.4 0.72 Allowed 'General case' 0 CA--C 1.608 3.189 0 N-CA-C 117.661 2.467 . . . . 0.6 117.661 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 32.7 p-90 . . . . . 0 N--CA 1.478 0.965 0 CA-C-N 108.679 -3.873 . . . . 0.6 113.22 170.071 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.2 tpt . . . . . 0 C--O 1.248 1.007 0 N-CA-C 105.764 -1.939 . . . . 0.6 105.764 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.33 -160.19 31.93 Favored Glycine 0 CA--C 1.573 3.687 0 CA-C-N 121.96 2.164 . . . . 0.6 114.936 164.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -172.48 124.58 0.48 Allowed 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 123.781 1.753 . . . . 0.6 108.321 -153.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 10.0 p -133.52 166.94 21.4 Favored 'General case' 0 C--N 1.387 2.222 0 CA-C-N 112.207 -2.269 . . . . 0.6 112.136 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.17 149.98 34.03 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 125.109 1.505 . . . . 0.6 110.822 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.409 ' HB ' HD13 ' A' ' 226' ' ' LEU . 12.3 t -141.22 127.09 19.33 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 C-N-CA 128.918 2.887 . . . . 0.6 110.657 173.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 50.2 m -134.23 116.35 15.23 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 120.797 1.635 . . . . 0.6 108.131 -174.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -120.08 133.82 55.42 Favored 'General case' 0 C--N 1.367 1.365 0 O-C-N 119.781 -1.825 . . . . 0.81 114.365 -175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -114.63 135.44 54.15 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 105.162 -2.162 . . . . 0.6 105.162 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . 0.413 ' HB ' ' HA ' ' B' ' 309' ' ' THR . 89.7 m -133.17 127.79 34.6 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 104.751 -2.314 . . . . 0.6 104.751 -175.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -131.44 91.13 2.96 Favored 'General case' 0 C--N 1.292 -1.904 0 C-N-CA 126.912 2.085 . . . . 0.81 107.838 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -115.96 127.57 55.06 Favored 'General case' 0 CA--C 1.586 2.355 0 O-C-N 120.568 -1.332 . . . . 0.6 111.202 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -142.55 120.46 12.01 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 125.887 1.675 . . . . 0.73 108.775 161.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.67 109.68 20.92 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 126.769 2.028 . . . . 0.6 109.96 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.31 58.21 Favored 'General case' 0 N--CA 1.504 2.263 0 C-N-CA 115.366 -2.534 . . . . 0.6 116.332 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -128.55 121.67 29.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 104.815 -2.291 . . . . 0.8 104.815 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.48 115.37 3.72 Favored Glycine 0 C--N 1.38 3.026 0 N-CA-C 118.773 2.269 . . . . 0.6 118.773 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -156.21 -43.47 0.08 Allowed 'General case' 0 CA--C 1.596 2.732 0 C-N-CA 128.387 2.675 . . . . 0.73 114.887 -163.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 3.7 p -71.36 112.6 7.62 Favored 'General case' 0 CA--C 1.565 1.545 0 CA-C-N 120.969 1.713 . . . . 0.6 109.616 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -99.05 108.35 20.99 Favored 'General case' 0 CA--C 1.558 1.251 0 O-C-N 124.476 1.11 . . . . 0.6 113.817 142.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.294 4.5 t80 -103.66 90.9 3.8 Favored 'General case' 0 CA--C 1.582 2.2 0 N-CA-C 112.683 0.623 . . . . 0.6 112.683 -176.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -76.55 126.57 31.21 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 105.751 -1.944 . . . . 0.6 105.751 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -136.32 84.23 2.06 Favored 'General case' 0 C--N 1.368 1.387 0 N-CA-C 104.936 -2.246 . . . . 0.71 104.936 168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -90.54 101.46 14.2 Favored 'General case' 0 N--CA 1.525 3.296 0 CA-C-O 116.926 -1.512 . . . . 0.71 107.631 172.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 -118.98 116.49 26.55 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 126.27 1.828 . . . . 0.81 109.503 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 31.4 p -81.53 163.58 22.56 Favored 'General case' 0 C--O 1.254 1.299 0 N-CA-C 106.94 -1.504 . . . . 0.6 106.94 158.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 205' ' ' VAL . 2.3 pt? -146.93 148.54 31.88 Favored 'General case' 0 N--CA 1.506 2.34 0 C-N-CA 118.862 -1.135 . . . . 0.6 112.014 141.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.39 91.15 3.44 Favored 'General case' 0 C--O 1.167 -3.267 0 C-N-CA 126.532 1.933 . . . . 0.81 115.61 -161.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 16.4 m -68.66 -28.02 66.51 Favored 'General case' 0 C--O 1.171 -3.053 0 N-CA-C 105.232 -2.136 . . . . 0.6 105.232 -172.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.6 p -134.08 -51.4 0.83 Allowed 'General case' 0 CA--C 1.55 0.959 0 CA-C-O 118.746 -0.645 . . . . 0.6 112.256 -169.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.331 93.6 m95 . . . . . 0 C--O 1.191 -2.0 0 CA-C-O 117.769 -1.11 . . . . 0.6 111.526 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.459 0 CA-C-O 117.062 -1.447 . . . . 0.6 111.899 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 161.81 113.01 0.29 Allowed Glycine 0 N--CA 1.509 3.506 0 C-N-CA 126.61 2.052 . . . . 0.6 108.283 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . 0.708 ' HB3' ' H ' ' C' ' 402' ' ' ALA . . . 79.07 -149.86 0.02 OUTLIER 'General case' 0 C--N 1.367 1.331 1 C-N-CA 134.819 5.247 . . . . 0.6 105.722 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . 0.42 ' HB ' HG22 ' C' ' 403' ' ' THR . 3.9 m -134.69 121.55 20.97 Favored 'General case' 0 C--N 1.41 3.198 0 CA-C-O 117.08 -1.438 . . . . 0.6 114.037 -137.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -120.5 106.03 11.41 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 126.202 2.189 . . . . 0.6 115.243 -168.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -110.62 143.5 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 112.937 -1.938 . . . . 0.6 113.883 178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 7.0 m -131.99 148.37 52.51 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 127.181 2.801 . . . . 0.6 105.926 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -133.92 134.01 42.11 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 114.676 -2.583 . . . . 0.81 116.849 158.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -123.74 109.76 14.09 Favored 'General case' 0 C--O 1.263 1.794 0 O-C-N 127.43 2.956 . . . . 0.6 110.942 160.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . 0.419 ' HB ' ' HA ' ' C' ' 409' ' ' THR . 96.0 m -116.08 143.3 45.66 Favored 'General case' 0 CA--C 1.574 1.878 0 CA-C-N 124.479 3.309 . . . . 0.6 102.256 -170.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -143.6 97.63 3.1 Favored 'General case' 0 CA--C 1.456 -2.642 0 CA-C-O 127.488 3.518 . . . . 0.81 107.082 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.53 120.71 43.32 Favored 'General case' 0 C--O 1.204 -1.334 0 C-N-CA 130.27 3.428 . . . . 0.6 108.477 -171.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -144.05 19.83 1.77 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 118.44 -1.304 . . . . 0.73 112.098 -172.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 29.1 m -57.69 110.24 0.86 Allowed 'General case' 0 CA--C 1.61 3.25 0 C-N-CA 128.441 2.696 . . . . 0.6 110.867 162.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -71.42 -43.1 67.41 Favored 'General case' 0 C--O 1.274 2.393 0 CA-C-O 125.395 2.521 . . . . 0.6 105.508 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.43 136.36 46.0 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 118.749 -2.47 . . . . 0.8 108.785 -159.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.85 -28.44 70.68 Favored Glycine 0 CA--C 1.543 1.825 0 CA-C-N 114.949 -1.023 . . . . 0.6 115.547 -172.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . 0.276 0.5 OUTLIER -75.1 64.31 1.37 Allowed 'General case' 0 CA--C 1.57 1.745 0 C-N-CA 116.784 -1.966 . . . . 0.73 112.752 -176.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 87.7 m -141.51 132.07 25.43 Favored 'General case' 0 N--CA 1.517 2.922 0 C-N-CA 129.012 2.925 . . . . 0.6 109.634 -160.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -133.16 119.36 19.8 Favored 'General case' 0 N--CA 1.525 3.298 0 N-CA-C 105.076 -2.194 . . . . 0.6 105.076 -170.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -115.31 146.23 41.71 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-O 124.039 1.876 . . . . 0.6 109.103 171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -152.21 103.43 2.86 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 113.729 -1.578 . . . . 0.6 114.135 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -114.55 125.31 53.64 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 122.447 1.117 . . . . 0.71 112.853 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -116.95 107.48 14.62 Favored 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 115.006 -2.678 . . . . 0.71 105.601 177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -115.14 121.28 42.51 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 104.814 -2.291 . . . . 0.81 104.814 -167.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 21.3 m -134.31 104.71 6.27 Favored 'General case' 0 CA--C 1.584 2.288 0 CA-C-O 116.759 -1.591 . . . . 0.6 108.69 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.476 ' N ' HD12 ' B' ' 326' ' ' LEU . 4.5 mp -95.59 122.35 38.25 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 122.273 2.306 . . . . 0.6 109.563 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.14 144.24 31.84 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 120.014 1.279 . . . . 0.81 109.978 167.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 28.6 p -132.45 120.61 22.19 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 101.432 -3.544 . . . . 0.6 101.432 139.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 75.8 p -123.92 159.32 29.97 Favored 'General case' 0 C--N 1.308 -1.196 1 O-C-N 116.071 -4.143 . . . . 0.6 106.849 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 . . . . . 0 CA--C 1.553 1.085 0 CA-C-O 126.118 2.866 . . . . 0.6 112.085 170.382 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 37.0 mtt . . . . . 0 CA--C 1.469 -2.16 0 CA-C-O 119.053 -0.499 . . . . 0.6 111.636 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.03 58.05 1.94 Allowed Glycine 0 CA--C 1.543 1.782 0 N-CA-C 108.3 -1.92 . . . . 0.6 108.3 -169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . 0.708 ' H ' ' HB3' ' B' ' 302' ' ' ALA . . . -164.57 138.68 5.25 Favored 'General case' 0 C--O 1.273 2.306 0 CA-C-N 114.002 -1.099 . . . . 0.6 112.226 -159.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . 0.42 HG22 ' HB ' ' B' ' 303' ' ' THR . 29.7 p -127.87 131.76 49.43 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 126.869 2.605 . . . . 0.6 112.725 -175.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -142.66 117.01 9.6 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.239 -2.255 . . . . 0.6 112.512 -158.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 30.1 m -110.5 104.79 17.63 Favored 'Isoleucine or valine' 0 C--O 1.274 2.35 0 C-N-CA 124.697 1.199 . . . . 0.6 110.87 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 19.1 m -100.4 110.02 22.21 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 128.723 3.764 . . . . 0.6 102.557 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . 0.432 ' CD ' ' HE ' ' C' ' 424' ' ' ARG . 4.6 tt0 -127.75 121.35 30.03 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 113.607 -1.633 . . . . 0.81 108.448 -174.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 42.0 m95 -117.3 100.92 8.01 Favored 'General case' 0 N--CA 1.41 -2.468 0 N-CA-C 117.164 2.283 . . . . 0.6 117.164 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . 0.419 ' HA ' ' HB ' ' B' ' 309' ' ' THR . 7.3 m -99.37 116.57 31.83 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 115.146 -2.359 . . . . 0.6 106.353 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -113.38 125.84 54.7 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 115.973 -1.965 . . . . 0.81 108.112 163.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -145.52 125.18 13.3 Favored 'General case' 0 C--O 1.271 2.19 0 O-C-N 127.056 2.722 . . . . 0.6 105.837 -149.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -130.17 151.89 50.2 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 117.965 -2.96 . . . . 0.73 105.78 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 6.4 m -153.11 142.14 21.3 Favored 'General case' 0 C--O 1.257 1.494 0 C-N-CA 131.626 3.97 . . . . 0.6 110.315 -177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -90.43 -82.25 0.28 Allowed 'General case' 0 CA--C 1.578 2.035 0 N-CA-C 107.746 -1.205 . . . . 0.6 107.746 169.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.84 123.17 19.41 Favored 'General case' 0 CA--C 1.446 -3.038 0 N-CA-C 105.273 -2.121 . . . . 0.8 105.273 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -77.79 31.67 1.71 Allowed Glycine 0 CA--C 1.505 -0.58 0 CA-C-N 114.352 -1.295 . . . . 0.6 111.752 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -78.69 -18.35 54.5 Favored 'General case' 1 C--O 1.306 4.037 0 CA-C-O 115.762 -2.066 . . . . 0.73 113.045 169.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 44.7 m -49.05 142.2 7.02 Favored 'General case' 0 N--CA 1.409 -2.514 0 O-C-N 126.045 2.091 . . . . 0.6 113.887 177.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -101.66 140.88 35.35 Favored 'General case' 0 C--O 1.257 1.486 0 CA-C-O 122.163 0.983 . . . . 0.6 108.736 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -145.99 130.35 17.68 Favored 'General case' 0 C--O 1.215 -0.718 1 CA-C-O 129.628 4.537 . . . . 0.6 111.009 176.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -128.02 118.54 23.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 112.72 -3.514 . . . . 0.6 109.617 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -120.33 116.65 25.96 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 121.932 2.151 . . . . 0.71 108.941 165.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -123.35 114.06 19.68 Favored 'General case' 0 C--O 1.266 1.934 0 CA-C-O 122.224 1.011 . . . . 0.71 109.714 173.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . 0.432 ' HE ' ' CD ' ' C' ' 407' ' ' GLU . 13.9 ttm105 -123.56 117.21 24.56 Favored 'General case' 0 C--O 1.268 2.037 0 CA-C-N 112.824 -1.989 . . . . 0.81 107.538 -163.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 30.0 m -124.31 129.64 51.1 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 116.536 -3.852 . . . . 0.6 110.972 -173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.12 132.88 21.07 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 119.999 -1.688 . . . . 0.6 110.976 176.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.338 3.4 pt-20 -132.47 124.89 29.45 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 115.415 1.635 . . . . 0.81 115.415 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 15.8 m -108.31 110.06 21.55 Favored 'General case' 0 N--CA 1.433 -1.289 0 O-C-N 128.227 3.454 . . . . 0.6 108.69 -174.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.69 141.16 38.99 Favored 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 126.825 3.202 . . . . 0.6 114.957 162.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 10.9 p-90 . . . . . 0 N--CA 1.484 1.265 1 O-C-N 113.269 -5.894 . . . . 0.6 109.988 159.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 122.356 1.075 . . . . 0.6 110.728 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -148.68 -174.19 20.12 Favored Glycine 1 N--CA 1.52 4.256 0 O-C-N 119.01 -2.306 . . . . 0.6 107.706 -153.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -96.69 120.44 37.02 Favored 'General case' 0 C--O 1.201 -1.47 0 O-C-N 126.057 1.68 . . . . 0.6 111.051 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.03 155.17 17.86 Favored 'General case' 0 CA--C 1.577 2.005 0 O-C-N 120.922 -1.111 . . . . 0.6 111.108 178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -158.85 125.37 4.64 Favored 'General case' 0 C--O 1.272 2.278 0 C-N-CA 128.049 2.54 . . . . 0.6 113.112 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.75 148.54 22.73 Favored 'Isoleucine or valine' 0 C--O 1.253 1.278 0 CA-C-O 122.773 1.273 . . . . 0.6 111.207 167.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 3.4 m -168.51 94.78 0.36 Allowed 'General case' 0 CA--C 1.469 -2.173 0 C-N-CA 116.426 -2.11 . . . . 0.6 106.749 -170.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.331 16.2 pt-20 -107.09 125.87 51.62 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 127.122 2.169 . . . . 0.81 110.281 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -120.45 95.22 4.64 Favored 'General case' 0 N--CA 1.405 -2.707 0 N-CA-C 102.393 -3.188 . . . . 0.6 102.393 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.2 p -116.02 128.52 55.78 Favored 'General case' 0 N--CA 1.393 -3.307 0 CA-C-N 113.594 -1.639 . . . . 0.6 108.759 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -135.23 120.64 19.15 Favored 'General case' 0 N--CA 1.518 2.961 0 C-N-CA 117.531 -1.668 . . . . 0.81 108.581 168.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -132.63 124.01 27.49 Favored 'General case' 0 N--CA 1.507 2.383 0 C-N-CA 130.386 3.474 . . . . 0.6 108.808 -167.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -129.69 123.69 31.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 125.906 2.004 . . . . 0.73 107.91 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.45 124.77 40.55 Favored 'General case' 0 CA--C 1.606 3.123 1 C-N-CA 132.463 4.305 . . . . 0.6 107.471 169.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -67.3 -28.19 67.79 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 115.726 -2.389 . . . . 0.6 112.122 160.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -134.73 99.97 4.48 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 105.727 -1.953 . . . . 0.8 105.727 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -63.81 85.67 0.06 OUTLIER Glycine 0 C--N 1.349 1.267 0 C-N-CA 126.515 2.007 . . . . 0.6 113.249 -175.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.6 mmmm -134.6 7.17 3.53 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.586 -1.538 . . . . 0.73 114.835 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 135.74 21.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 130.956 3.702 . . . . 0.6 112.533 -167.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -89.17 96.44 10.72 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 119.824 -1.797 . . . . 0.6 108.528 167.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -119.91 129.87 54.56 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 129.511 3.125 . . . . 0.6 111.366 -164.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -120.02 122.99 42.35 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 131.627 3.971 . . . . 0.6 111.673 159.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -121.72 129.05 52.45 Favored 'General case' 0 N--CA 1.531 3.592 0 CA-C-N 122.541 2.428 . . . . 0.71 108.455 160.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -138.31 141.98 39.78 Favored 'General case' 0 C--O 1.264 1.821 0 CA-C-O 122.651 1.215 . . . . 0.71 110.295 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -113.29 128.26 56.41 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.455 1.502 . . . . 0.81 107.585 165.482 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 87.0 m -108.9 105.23 14.68 Favored 'General case' 0 C--N 1.286 -2.194 0 N-CA-C 103.245 -2.872 . . . . 0.6 103.245 163.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -124.37 99.87 6.41 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 126.424 1.89 . . . . 0.6 106.399 -163.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -127.92 119.81 26.36 Favored 'General case' 0 CA--C 1.599 2.836 0 N-CA-C 116.741 2.126 . . . . 0.81 116.741 -172.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.47 7.45 41.15 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 126.614 2.446 . . . . 0.6 110.129 169.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 55.4 m 72.82 106.9 0.07 Allowed 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 104.712 -2.329 . . . . 0.6 104.712 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 25.7 p-90 . . . . . 0 N--CA 1.485 1.285 0 CA-C-N 121.958 2.163 . . . . 0.6 108.37 174.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 29.2 tpp . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 126.284 2.945 . . . . 0.6 111.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.96 15.21 Favored Glycine 0 CA--C 1.555 2.575 0 CA-C-N 111.209 -2.723 . . . . 0.6 110.493 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -166.04 134.05 2.92 Favored 'General case' 0 C--N 1.39 2.33 0 CA-C-N 111.898 -2.151 . . . . 0.6 111.844 -176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 73.5 p -143.13 169.71 17.09 Favored 'General case' 0 C--O 1.268 2.069 0 C-N-CA 129.476 3.11 . . . . 0.6 114.64 176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.97 121.94 11.34 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 127.126 2.17 . . . . 0.6 113.015 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . 0.3 39.8 t -107.82 123.31 63.16 Favored 'Isoleucine or valine' 0 C--O 1.273 2.334 0 N-CA-C 105.06 -2.2 . . . . 0.6 105.06 166.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 9.9 m -120.01 140.25 51.26 Favored 'General case' 0 CA--C 1.483 -1.599 0 C-N-CA 127.909 2.483 . . . . 0.6 114.273 156.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -130.08 158.74 38.8 Favored 'General case' 0 C--O 1.192 -1.973 0 N-CA-C 107.092 -1.448 . . . . 0.81 107.092 -177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -133.21 125.53 29.59 Favored 'General case' 0 C--N 1.362 1.113 0 C-N-CA 131.57 3.948 . . . . 0.6 109.979 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 7.4 m -130.4 119.62 22.99 Favored 'General case' 0 CA--C 1.554 1.109 0 O-C-N 124.642 1.213 . . . . 0.6 113.351 -173.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -122.11 75.21 1.21 Allowed 'General case' 0 N--CA 1.509 2.492 0 CA-C-O 117.465 -1.255 . . . . 0.81 108.016 -172.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -107.68 116.34 31.78 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 104.437 -2.431 . . . . 0.6 104.437 -169.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -138.24 119.89 15.11 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 127.581 2.353 . . . . 0.73 111.01 173.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 85.4 m -132.34 106.38 7.87 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.188 2.195 . . . . 0.6 109.557 -164.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -57.74 -55.82 29.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 119.918 -1.739 . . . . 0.6 114.926 -176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -111.1 97.75 7.03 Favored 'General case' 0 C--N 1.261 -3.26 0 O-C-N 126.433 2.333 . . . . 0.8 107.61 -172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -36.56 116.47 0.33 Allowed Glycine 0 CA--C 1.567 3.302 0 O-C-N 124.925 1.391 . . . . 0.6 114.277 -171.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -143.41 -42.08 0.29 Allowed 'General case' 0 C--N 1.282 -2.366 0 C-N-CA 126.856 2.062 . . . . 0.73 115.303 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 15.7 p -60.73 121.81 13.2 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 115.997 1.851 . . . . 0.6 115.997 -170.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -113.01 110.84 21.16 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 104.822 -2.288 . . . . 0.6 104.822 156.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -118.84 101.56 8.16 Favored 'General case' 0 C--O 1.29 3.185 0 CA-C-N 114.735 -1.121 . . . . 0.6 111.54 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -84.13 127.73 34.11 Favored 'General case' 0 N--CA 1.503 2.182 0 CA-C-N 113.245 -1.798 . . . . 0.6 109.531 164.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -132.77 101.39 5.25 Favored 'General case' 0 C--O 1.26 1.612 0 CA-C-N 120.342 1.428 . . . . 0.71 113.812 168.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -109.94 78.3 1.12 Allowed 'General case' 0 C--O 1.274 2.374 0 N-CA-C 117.295 2.332 . . . . 0.71 117.295 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.9 118.52 27.5 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 118.017 -2.927 . . . . 0.81 112.591 175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 63.8 p -81.33 159.48 24.4 Favored 'General case' 0 CA--C 1.581 2.139 0 O-C-N 125.62 1.825 . . . . 0.6 109.546 150.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -143.11 151.09 40.34 Favored 'General case' 0 CA--C 1.486 -1.481 0 C-N-CA 112.154 -3.818 . . . . 0.6 106.294 145.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' B' ' 327' ' ' GLU . 0.8 OUTLIER -136.0 107.06 6.71 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 100.55 -3.87 . . . . 0.81 100.55 -159.771 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 7.6 m -73.91 -27.61 61.12 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 113.148 0.796 . . . . 0.6 113.148 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.63 -54.41 0.78 Allowed 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 116.492 -1.718 . . . . 0.6 112.65 -164.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.5 m95 . . . . . 0 C--N 1.304 -1.385 0 O-C-N 128.388 3.555 . . . . 0.6 106.124 176.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . 0.47 ' HG3' ' H ' ' B' ' 301' ' ' GLY . 16.7 ptt? . . . . . 0 C--O 1.269 2.105 0 N-CA-C 103.617 -2.734 . . . . 0.6 103.617 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . 0.47 ' H ' ' HG3' ' B' ' 300' ' ' MET . . . -157.82 121.92 1.11 Allowed Glycine 0 N--CA 1.481 1.65 0 N-CA-C 104.465 -3.454 . . . . 0.6 104.465 -173.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.65 -137.94 0.19 Allowed 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 130.851 3.661 . . . . 0.6 114.747 -174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . 0.535 ' HB ' HG22 ' C' ' 403' ' ' THR . 7.0 m -132.48 143.23 49.63 Favored 'General case' 0 C--N 1.287 -2.134 0 O-C-N 125.192 1.557 . . . . 0.6 115.092 -145.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -135.91 124.21 23.25 Favored 'General case' 0 CA--C 1.472 -2.042 0 C-N-CA 125.968 1.707 . . . . 0.6 111.413 -174.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.437 ' HB ' HD21 ' B' ' 326' ' ' LEU . 0.9 OUTLIER -128.23 143.36 41.17 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 O-C-N 119.918 -1.739 . . . . 0.6 114.53 173.156 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.18 150.71 51.1 Favored 'General case' 0 C--N 1.364 1.225 0 N-CA-C 116.591 2.071 . . . . 0.6 116.591 174.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -136.02 146.0 46.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 124.038 1.875 . . . . 0.81 109.221 167.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.07 120.54 30.48 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 128.948 2.899 . . . . 0.6 108.993 156.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 29.3 m -133.77 122.14 22.87 Favored 'General case' 0 N--CA 1.42 -1.965 0 CA-C-N 111.906 -2.406 . . . . 0.6 112.049 -171.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.46 120.43 37.54 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 101.933 -3.358 . . . . 0.81 101.933 172.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -121.87 112.34 18.21 Favored 'General case' 0 C--O 1.18 -2.558 0 C-N-CA 129.289 3.035 . . . . 0.6 107.776 173.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -129.45 43.33 3.16 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-O 125.72 2.676 . . . . 0.73 117.258 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . 0.441 HG21 ' OG1' ' B' ' 318' ' ' THR . 90.1 m -97.91 107.45 19.93 Favored 'General case' 0 C--O 1.269 2.094 0 O-C-N 117.23 -3.419 . . . . 0.6 112.734 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.81 44.73 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 121.125 -0.984 . . . . 0.6 112.819 -170.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.09 140.1 58.41 Favored 'General case' 0 CA--C 1.559 1.321 0 N-CA-C 115.679 1.733 . . . . 0.8 115.679 -163.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -70.4 65.2 0.78 Allowed Glycine 0 CA--C 1.48 -2.143 0 C-N-CA 127.993 2.711 . . . . 0.6 113.163 -176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.24 -32.34 0.66 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 113.71 -1.245 . . . . 0.73 112.847 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . 0.441 ' OG1' HG21 ' B' ' 313' ' ' THR . 22.5 m -61.45 136.13 57.92 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.119 -1.896 . . . . 0.6 115.521 -158.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -116.44 131.4 56.96 Favored 'General case' 0 C--O 1.252 1.225 0 C-N-CA 128.2 2.6 . . . . 0.6 106.87 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -155.67 132.48 10.54 Favored 'General case' 0 C--O 1.249 1.033 0 O-C-N 120.38 -1.45 . . . . 0.6 111.058 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . 0.271 32.1 t80 -138.9 118.3 12.84 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-O 113.337 -3.22 . . . . 0.6 111.471 -168.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . 0.438 HD21 ' HB2' ' B' ' 324' ' ' ARG . 27.3 t30 -118.77 123.17 44.17 Favored 'General case' 0 C--N 1.373 1.622 0 O-C-N 126.465 2.353 . . . . 0.71 113.807 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -126.76 110.38 13.05 Favored 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 123.412 1.577 . . . . 0.71 111.407 172.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.438 ' HB2' HD21 ' B' ' 322' ' ' ASN . 6.7 tpt180 -122.68 113.52 19.34 Favored 'General case' 0 C--O 1.192 -1.935 0 C-N-CA 127.805 2.442 . . . . 0.81 105.619 -166.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 2.8 m -135.54 99.18 4.13 Favored 'General case' 0 N--CA 1.513 2.693 0 CA-C-N 114.617 -1.174 . . . . 0.6 111.938 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.437 HD21 ' HB ' ' B' ' 305' ' ' VAL . 0.5 OUTLIER -88.77 129.8 35.49 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 104.867 -2.272 . . . . 0.6 104.867 172.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . 0.588 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.4 OUTLIER -114.34 140.87 48.29 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 115.542 1.682 . . . . 0.81 115.542 160.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 36.3 p -134.6 125.97 28.28 Favored 'General case' 0 C--O 1.243 0.737 0 N-CA-C 103.247 -2.872 . . . . 0.6 103.247 143.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 68.8 p -134.26 162.02 33.34 Favored 'General case' 0 N--CA 1.413 -2.307 0 O-C-N 125.829 1.955 . . . . 0.6 114.041 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 126.893 3.235 . . . . 0.6 105.111 174.339 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 121.674 0.749 . . . . 0.6 111.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.11 65.61 3.19 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 107.86 -2.096 . . . . 0.6 107.86 -153.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -162.91 174.17 12.73 Favored 'General case' 0 N--CA 1.514 2.748 0 O-C-N 118.03 -3.041 . . . . 0.6 109.727 172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . 0.535 HG22 ' HB ' ' B' ' 303' ' ' THR 0.34 43.5 p -127.23 133.45 50.23 Favored 'General case' 0 C--N 1.376 1.735 0 O-C-N 127.659 3.099 . . . . 0.6 110.004 170.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -141.05 126.1 18.32 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.126 4.017 . . . . 0.6 109.61 174.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 15.3 m -103.53 112.73 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 O-C-N 127.769 3.168 . . . . 0.6 112.873 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.4 m -119.97 108.16 13.99 Favored 'General case' 0 C--O 1.271 2.185 0 CA-C-N 114.277 -1.329 . . . . 0.6 108.62 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -124.93 129.55 50.6 Favored 'General case' 0 C--O 1.267 1.993 0 N-CA-C 106.512 -1.662 . . . . 0.81 106.512 -163.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -119.76 90.6 3.36 Favored 'General case' 0 C--O 1.256 1.4 0 C-N-CA 126.106 1.763 . . . . 0.6 110.862 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 3.5 m -102.31 126.22 49.24 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 119.888 -1.758 . . . . 0.6 108.704 -176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -117.2 132.59 56.61 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 125.177 1.391 . . . . 0.81 107.786 159.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -158.68 121.71 3.76 Favored 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 128.233 2.613 . . . . 0.6 108.524 -156.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -144.09 131.26 20.66 Favored 'General case' 0 C--N 1.366 1.293 0 CA-C-O 117.047 -1.454 . . . . 0.73 111.99 -166.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 25.3 m -140.78 147.54 39.24 Favored 'General case' 0 C--N 1.307 -1.246 0 C-N-CA 130.686 3.595 . . . . 0.6 104.116 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -89.53 -72.71 0.54 Allowed 'General case' 0 N--CA 1.401 -2.912 0 N-CA-C 107.231 -1.396 . . . . 0.6 107.231 168.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -93.33 117.93 30.67 Favored 'General case' 0 N--CA 1.428 -1.542 0 C-N-CA 127.741 2.417 . . . . 0.8 107.993 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.35 18.05 0.05 OUTLIER Glycine 0 CA--C 1.484 -1.858 1 N-CA-C 123.12 4.008 . . . . 0.6 123.12 177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -78.73 60.68 2.83 Favored 'General case' 0 CA--C 1.544 0.729 1 CA-C-N 126.115 4.957 . . . . 0.73 106.367 172.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 55.0 m -141.19 128.29 20.8 Favored 'General case' 0 CA--C 1.609 3.224 0 C-N-CA 131.093 3.757 . . . . 0.6 106.234 -160.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -112.74 126.44 55.42 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 124.925 1.391 . . . . 0.6 109.899 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -142.72 123.86 14.55 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.477 1.911 . . . . 0.6 106.817 -170.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -128.89 140.25 51.77 Favored 'General case' 0 CA--C 1.62 3.637 0 CA-C-N 113.127 -1.851 . . . . 0.6 111.127 164.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -147.89 104.08 3.55 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 117.104 -1.427 . . . . 0.71 110.927 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -110.91 120.53 42.7 Favored 'General case' 0 N--CA 1.416 -2.133 1 C-N-CA 132.018 4.127 . . . . 0.71 108.041 178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -113.46 132.26 55.72 Favored 'General case' 0 CA--C 1.496 -1.128 0 C-N-CA 128.194 2.598 . . . . 0.81 112.56 168.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 7.8 m -136.55 118.67 15.45 Favored 'General case' 0 CA--C 1.559 1.315 0 O-C-N 127.655 3.097 . . . . 0.6 105.458 -174.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.14 134.72 23.3 Favored 'General case' 0 C--O 1.273 2.309 0 CA-C-N 114.191 -1.368 . . . . 0.6 109.236 173.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -136.81 129.01 29.72 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 127.845 2.458 . . . . 0.81 113.619 -173.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 20.1 m -105.98 111.15 23.66 Favored 'General case' 0 N--CA 1.501 2.103 0 C-N-CA 127.04 2.136 . . . . 0.6 115.365 -176.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.62 109.72 3.72 Favored 'General case' 0 C--O 1.266 1.937 0 C-N-CA 129.369 3.067 . . . . 0.6 110.986 174.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 31.4 p-90 . . . . . 0 C--O 1.271 2.229 0 C-N-CA 128.573 2.749 . . . . 0.6 111.893 -175.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 105.922 -1.881 . . . . 0.6 105.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.93 170.74 22.71 Favored Glycine 0 C--O 1.268 2.255 0 CA-C-N 113.006 -1.906 . . . . 0.6 113.859 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.01 159.3 30.02 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 106.994 -1.484 . . . . 0.6 106.994 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.14 143.52 40.36 Favored 'General case' 0 C--N 1.279 -2.477 0 N-CA-C 115.931 1.826 . . . . 0.6 115.931 178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -129.72 129.79 44.64 Favored 'General case' 0 C--N 1.384 2.083 0 CA-C-N 120.871 1.669 . . . . 0.6 111.15 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.1 p -106.65 146.65 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.451 -2.842 0 O-C-N 121.198 -0.939 . . . . 0.6 111.43 153.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.262 26.3 m -159.94 94.17 1.11 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 127.672 3.107 . . . . 0.6 113.807 175.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . 0.303 7.8 pt-20 -105.03 111.97 24.94 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.547 1.154 . . . . 0.81 112.639 -174.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.86 86.97 4.49 Favored 'General case' 0 C--O 1.285 2.922 0 N-CA-C 102.927 -2.99 . . . . 0.6 102.927 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.15 119.56 31.92 Favored 'General case' 0 C--O 1.268 2.044 0 CA-C-O 114.844 -2.503 . . . . 0.6 106.645 174.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -128.04 112.25 14.41 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 126.337 2.273 . . . . 0.81 115.234 162.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.87 157.59 46.1 Favored 'General case' 0 C--O 1.209 -1.063 1 O-C-N 115.869 -4.269 . . . . 0.6 107.198 -167.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -151.64 121.73 7.17 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 113.645 -1.616 . . . . 0.73 112.758 -168.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.99 141.02 34.47 Favored 'General case' 0 C--N 1.306 -1.29 1 C-N-CA 135.764 5.626 . . . . 0.6 109.665 172.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -85.84 -46.12 10.92 Favored 'General case' 0 C--O 1.269 2.129 0 C-N-CA 117.952 -1.499 . . . . 0.6 111.952 154.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -124.5 119.04 27.98 Favored 'General case' 0 C--O 1.261 1.66 0 CA-C-N 119.433 1.015 . . . . 0.8 108.767 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -86.36 54.98 4.72 Favored Glycine 0 CA--C 1.551 2.305 0 CA-C-O 123.641 1.689 . . . . 0.6 115.782 -157.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -80.87 -4.73 55.82 Favored 'General case' 0 C--O 1.199 -1.58 0 CA-C-N 111.245 -2.477 . . . . 0.73 115.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 20.0 p -61.42 128.13 34.84 Favored 'General case' 0 N--CA 1.508 2.46 0 CA-C-N 119.777 1.171 . . . . 0.6 113.818 -161.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.07 110.09 17.7 Favored 'General case' 0 C--N 1.367 1.346 0 N-CA-C 104.697 -2.334 . . . . 0.6 104.697 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -134.22 126.21 29.4 Favored 'General case' 0 C--O 1.262 1.741 0 C-N-CA 126.087 1.755 . . . . 0.6 115.035 -167.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -126.49 129.13 48.06 Favored 'General case' 0 C--N 1.395 2.586 0 C-N-CA 126.97 2.108 . . . . 0.6 110.64 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -132.49 127.97 36.37 Favored 'General case' 0 CA--C 1.59 2.509 0 C-N-CA 125.508 1.523 . . . . 0.71 108.938 171.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -134.79 135.06 41.54 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 128.335 2.654 . . . . 0.71 111.351 175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.557 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -109.97 128.87 55.65 Favored 'General case' 0 C--O 1.255 1.38 0 C-N-CA 124.149 0.98 . . . . 0.81 108.447 154.382 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.2 m -110.24 103.13 11.77 Favored 'General case' 0 N--CA 1.432 -1.369 0 N-CA-C 103.621 -2.733 . . . . 0.6 103.621 154.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -108.15 107.52 18.2 Favored 'General case' 0 C--N 1.399 2.755 0 N-CA-C 102.717 -3.068 . . . . 0.6 102.717 -172.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -122.71 144.37 49.19 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 125.358 1.661 . . . . 0.81 113.441 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.94 -0.22 25.24 Favored 'General case' 0 C--O 1.287 3.069 0 CA-C-N 108.508 -3.951 . . . . 0.6 111.359 167.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.272 9.3 m 73.02 99.17 0.07 Allowed 'General case' 0 N--CA 1.516 2.874 0 CA-C-O 123.212 1.482 . . . . 0.6 112.552 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 106.338 -1.727 . . . . 0.6 106.338 -165.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tmm? . . . . . 0 N--CA 1.528 3.442 0 CA-C-O 126.53 3.062 . . . . 0.6 105.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 161.92 131.23 1.2 Allowed Glycine 0 N--CA 1.481 1.641 0 CA-C-O 113.94 -3.7 . . . . 0.6 110.399 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.98 22.3 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 127.908 2.769 . . . . 0.6 108.54 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 72.8 p -139.05 154.37 48.19 Favored 'General case' 0 N--CA 1.51 2.559 0 C-N-CA 130.789 3.636 . . . . 0.6 112.562 172.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -134.63 149.8 50.6 Favored 'General case' 0 N--CA 1.514 2.733 0 O-C-N 119.379 -2.076 . . . . 0.6 113.44 170.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' B' ' 305' ' ' VAL . 2.3 t -129.48 143.87 39.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-O 124.965 2.317 . . . . 0.6 109.0 171.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 80.9 p -141.3 156.07 45.9 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 113.604 -1.634 . . . . 0.6 110.541 169.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -154.4 157.67 38.88 Favored 'General case' 0 CA--C 1.471 -2.088 0 O-C-N 126.744 2.527 . . . . 0.81 111.982 151.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . 0.325 8.7 t-105 -108.4 133.09 53.07 Favored 'General case' 0 CA--C 1.582 2.183 0 C-N-CA 126.777 2.031 . . . . 0.6 107.743 162.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 95.5 m -113.91 139.28 49.33 Favored 'General case' 0 C--O 1.212 -0.869 0 O-C-N 126.954 2.659 . . . . 0.6 109.479 173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . 0.285 24.6 tt0 -142.82 87.69 2.0 Favored 'General case' 0 CA--C 1.466 -2.28 0 N-CA-C 107.662 -1.236 . . . . 0.81 107.662 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -110.42 138.25 47.05 Favored 'General case' 0 C--O 1.184 -2.384 0 O-C-N 124.337 1.023 . . . . 0.6 108.296 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.89 108.84 2.91 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-N 112.909 -1.95 . . . . 0.73 112.645 174.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.81 121.85 46.38 Favored 'General case' 0 N--CA 1.41 -2.465 0 N-CA-C 117.645 2.461 . . . . 0.6 117.645 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -65.26 -88.51 0.01 OUTLIER 'General case' 0 C--O 1.255 1.372 0 CA-C-O 116.829 -1.557 . . . . 0.6 114.282 172.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -71.48 125.94 28.35 Favored 'General case' 0 C--O 1.286 2.997 0 CA-C-N 123.434 2.834 . . . . 0.8 106.61 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -51.52 117.55 5.91 Favored Glycine 0 CA--C 1.497 -1.058 0 CA-C-N 123.687 2.949 . . . . 0.6 108.579 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -143.54 -45.64 0.28 Allowed 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 112.57 -1.815 . . . . 0.73 111.418 -169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 36.1 p -62.97 136.03 57.62 Favored 'General case' 0 C--O 1.27 2.157 0 CA-C-O 123.365 1.555 . . . . 0.6 110.158 -164.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.92 120.33 35.19 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 101.537 -3.505 . . . . 0.6 101.537 167.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -139.25 99.38 3.73 Favored 'General case' 0 C--O 1.281 2.733 0 CA-C-O 126.033 2.825 . . . . 0.6 111.457 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -91.05 136.01 33.37 Favored 'General case' 0 C--O 1.293 3.371 0 CA-C-N 111.908 -2.405 . . . . 0.6 110.055 169.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.32 93.09 2.44 Favored 'General case' 0 CA--C 1.568 1.65 0 C-N-CA 127.496 2.318 . . . . 0.71 113.243 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -117.4 110.02 17.51 Favored 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 124.942 1.297 . . . . 0.71 108.647 -171.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . 0.3 12.4 ttp85 -136.74 117.16 13.7 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 124.758 3.435 . . . . 0.81 112.302 -170.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 1.4 p -71.13 165.28 23.91 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.159 -0.963 . . . . 0.6 109.502 166.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.497 HD21 ' HG ' ' B' ' 326' ' ' LEU . 1.8 pt? -143.02 144.7 32.39 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-O 114.681 -2.581 . . . . 0.6 106.921 142.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.432 ' HA ' ' HG2' ' B' ' 327' ' ' GLU . 17.4 mt-10 -138.68 90.15 2.43 Favored 'General case' 0 CA--C 1.448 -2.978 0 N-CA-C 103.578 -2.749 . . . . 0.81 103.578 -141.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 64.5 m -83.88 -40.87 18.07 Favored 'General case' 0 N--CA 1.403 -2.789 0 O-C-N 116.323 -3.986 . . . . 0.6 115.117 -168.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.251 19.0 p -118.22 -55.6 2.23 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 126.805 2.565 . . . . 0.6 104.279 -153.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 9.1 m95 . . . . . 0 CA--C 1.604 3.04 0 C-N-CA 125.131 1.372 . . . . 0.6 114.438 -177.82 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.278 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 N-CA-C 105.086 -2.191 . . . . 0.6 105.086 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 177.67 140.27 3.67 Favored Glycine 0 C--N 1.368 2.35 0 N-CA-C 105.805 -2.918 . . . . 0.6 105.805 153.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 48.42 -142.95 0.48 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 116.054 -1.927 . . . . 0.6 112.664 -164.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . 0.561 ' HB ' HG22 ' C' ' 403' ' ' THR . 10.7 m -143.71 133.77 24.21 Favored 'General case' 0 C--O 1.262 1.727 0 CA-C-N 124.237 3.199 . . . . 0.6 117.264 -133.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -128.97 142.09 51.04 Favored 'General case' 0 CA--C 1.477 -1.848 0 N-CA-C 116.746 2.128 . . . . 0.6 116.746 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.681 ' HB ' HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -138.76 153.67 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.047 0 CA-C-N 122.036 2.198 . . . . 0.6 109.724 -179.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 8.6 m -137.3 157.96 45.46 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 113.37 -1.741 . . . . 0.6 113.893 167.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -136.28 152.73 51.02 Favored 'General case' 0 CA--C 1.62 3.642 0 C-N-CA 126.698 1.999 . . . . 0.81 110.332 159.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -140.14 72.69 1.4 Allowed 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 104.521 -2.399 . . . . 0.6 104.521 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 41.5 m -86.87 129.07 35.03 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-O 116.109 -1.901 . . . . 0.6 114.083 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -107.92 120.52 42.53 Favored 'General case' 0 N--CA 1.415 -2.182 0 N-CA-C 101.549 -3.501 . . . . 0.81 101.549 158.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.21 112.01 18.95 Favored 'General case' 0 N--CA 1.539 3.995 0 CA-C-N 125.161 3.619 . . . . 0.6 108.07 174.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -125.67 77.65 1.67 Allowed 'General case' 0 CA--C 1.502 -0.902 0 N-CA-C 114.985 1.476 . . . . 0.73 114.985 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 5.2 m -131.73 117.6 18.83 Favored 'General case' 0 N--CA 1.508 2.456 0 O-C-N 119.099 -2.251 . . . . 0.6 113.796 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -58.02 -58.52 8.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 O-C-N 120.655 -1.278 . . . . 0.6 113.956 -171.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.74 126.22 26.6 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-N 110.748 -2.933 . . . . 0.8 113.415 -164.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -53.5 70.06 0.0 OUTLIER Glycine 0 N--CA 1.493 2.461 0 C-N-CA 130.612 3.958 . . . . 0.6 113.164 167.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -162.62 -39.06 0.04 OUTLIER 'General case' 0 CA--C 1.591 2.54 0 O-C-N 118.254 -2.909 . . . . 0.73 112.207 -164.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . 0.453 ' HB ' HG23 ' C' ' 418' ' ' THR . 3.1 m -46.32 125.65 6.98 Favored 'General case' 0 CA--C 1.561 1.391 0 CA-C-O 115.847 -2.025 . . . . 0.6 114.89 171.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -112.53 141.14 46.64 Favored 'General case' 0 C--O 1.274 2.37 0 O-C-N 127.39 2.932 . . . . 0.6 106.958 167.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 50.7 t80 -138.88 148.51 43.74 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 120.207 -1.558 . . . . 0.6 110.907 170.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . 0.445 ' CE1' ' CD1' ' C' ' 421' ' ' TYR . 38.3 t80 -143.69 112.73 6.72 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 119.87 -1.768 . . . . 0.6 111.655 172.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -105.14 124.97 50.46 Favored 'General case' 0 C--O 1.263 1.777 0 CA-C-N 119.271 0.941 . . . . 0.71 110.602 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -130.63 97.63 4.42 Favored 'General case' 0 CA--C 1.562 1.414 0 CA-C-O 124.497 2.094 . . . . 0.71 108.919 170.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -101.19 130.52 47.3 Favored 'General case' 0 C--O 1.269 2.099 0 CA-C-O 115.222 -2.323 . . . . 0.81 110.255 -172.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . 0.431 ' O ' HD23 ' A' ' 226' ' ' LEU . 23.2 m -138.27 129.79 27.77 Favored 'General case' 0 CA--C 1.566 1.576 0 CA-C-N 120.953 1.706 . . . . 0.6 112.393 177.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.681 HD11 ' HB ' ' B' ' 305' ' ' VAL . 8.7 mp -119.71 108.48 14.48 Favored 'General case' 0 C--O 1.265 1.915 0 C-N-CA 126.024 1.73 . . . . 0.6 106.919 172.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . 0.432 ' HG2' ' HA ' ' A' ' 227' ' ' GLU . 0.5 OUTLIER -91.46 142.02 28.11 Favored 'General case' 0 CA--C 1.472 -2.043 1 O-C-N 115.006 -4.809 . . . . 0.81 108.267 176.443 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' C' ' 429' ' ' THR . 68.0 p -138.26 123.03 18.77 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 105.544 -2.021 . . . . 0.6 105.544 138.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.337 27.4 p -114.84 158.54 21.78 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 127.844 3.215 . . . . 0.6 114.826 -175.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 . . . . . 0 C--O 1.264 1.841 0 O-C-N 127.105 2.753 . . . . 0.6 111.362 173.353 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' C' ' 402' ' ' ALA 0.32 45.6 ttm . . . . . 0 CA--C 1.546 0.826 0 N-CA-C 105.069 -2.197 . . . . 0.6 105.069 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' C' ' 430' ' ' TRP . . . 66.46 67.26 2.07 Favored Glycine 0 N--CA 1.506 3.352 0 CA-C-O 126.419 3.233 . . . . 0.6 107.378 -162.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . 0.416 ' HB3' ' HG2' ' C' ' 400' ' ' MET . . . -165.94 159.73 16.03 Favored 'General case' 0 C--O 1.28 2.703 0 CA-C-N 111.927 -2.137 . . . . 0.6 112.838 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . 0.561 HG22 ' HB ' ' B' ' 303' ' ' THR . 66.8 p -126.15 148.43 49.41 Favored 'General case' 0 CA--C 1.56 1.361 0 N-CA-C 106.729 -1.582 . . . . 0.6 106.729 162.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -156.72 130.76 8.44 Favored 'General case' 0 N--CA 1.395 -3.195 0 O-C-N 124.963 1.414 . . . . 0.6 114.762 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 18.2 m -94.68 116.77 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 CA-C-O 116.42 -1.753 . . . . 0.6 114.276 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 58.8 m -116.35 67.25 0.72 Allowed 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 122.154 2.252 . . . . 0.6 108.907 -177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.57 122.33 21.19 Favored 'General case' 0 C--N 1.278 -2.511 0 C-N-CA 129.762 3.225 . . . . 0.81 115.082 172.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -109.37 134.15 52.18 Favored 'General case' 0 N--CA 1.509 2.519 0 O-C-N 119.54 -1.975 . . . . 0.6 108.5 158.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 85.3 m -143.74 118.5 9.88 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 119.443 1.019 . . . . 0.6 108.826 166.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -102.83 112.72 25.66 Favored 'General case' 0 C--N 1.36 1.058 0 O-C-N 117.812 -3.055 . . . . 0.81 107.525 166.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -126.14 115.06 19.2 Favored 'General case' 0 N--CA 1.423 -1.819 0 CA-C-O 116.624 -1.655 . . . . 0.6 107.961 -162.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -114.9 125.62 53.85 Favored 'General case' 0 N--CA 1.407 -2.594 0 O-C-N 126.636 2.46 . . . . 0.73 112.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 90.6 m -135.93 134.41 38.66 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 125.869 1.981 . . . . 0.6 107.985 -175.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' D' ' 514' ' ' ALA . . . -91.51 -38.01 12.79 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 112.738 -3.506 . . . . 0.6 110.924 175.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.58 125.29 48.43 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 123.374 2.806 . . . . 0.8 108.3 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -66.59 -8.05 44.28 Favored Glycine 0 C--O 1.19 -2.625 0 CA-C-O 117.493 -1.726 . . . . 0.6 116.81 -172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -59.66 -16.75 28.67 Favored 'General case' 0 CA--C 1.583 2.217 0 C-N-CA 129.23 3.012 . . . . 0.73 111.218 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . 0.453 HG23 ' HB ' ' B' ' 318' ' ' THR 0.295 2.1 m -54.38 138.48 39.56 Favored 'General case' 0 C--O 1.259 1.604 0 O-C-N 117.622 -3.174 . . . . 0.6 114.512 159.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -103.88 125.43 50.29 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 131.49 3.916 . . . . 0.6 109.75 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . 0.521 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 90.5 t80 -130.95 132.58 45.15 Favored 'General case' 0 C--O 1.268 2.034 0 CA-C-N 111.641 -2.527 . . . . 0.6 105.472 174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . 0.445 ' CD1' ' CE1' ' B' ' 321' ' ' TYR . 35.7 t80 -135.06 137.19 42.66 Favored 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 124.476 1.11 . . . . 0.6 111.52 169.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -140.56 114.39 8.94 Favored 'General case' 0 CA--C 1.569 1.678 0 O-C-N 119.651 -1.906 . . . . 0.71 109.386 172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -108.23 99.06 8.52 Favored 'General case' 1 N--CA 1.561 5.124 0 O-C-N 125.805 1.941 . . . . 0.71 107.329 174.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 12.7 ttm105 -106.31 124.3 49.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 130.03 3.332 . . . . 0.81 110.747 -171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 95.3 m -128.42 145.05 51.21 Favored 'General case' 0 C--O 1.195 -1.785 0 N-CA-C 104.911 -2.255 . . . . 0.6 104.911 -174.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.73 146.01 26.98 Favored 'General case' 0 C--O 1.265 1.874 0 CA-C-N 115.287 -0.87 . . . . 0.6 113.198 157.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.5 123.63 13.68 Favored 'General case' 0 N--CA 1.521 3.106 0 CA-C-O 123.498 1.618 . . . . 0.81 110.274 -174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 1.9 m -95.53 108.29 20.52 Favored 'General case' 0 C--O 1.183 -2.422 0 C-N-CA 126.358 1.863 . . . . 0.6 112.609 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' B' ' 328' ' ' SER . 0.2 OUTLIER -147.81 149.06 31.62 Favored 'General case' 0 C--N 1.38 1.921 0 C-N-CA 126.92 2.088 . . . . 0.6 109.027 167.005 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . 0.42 ' CE2' ' HA3' ' C' ' 401' ' ' GLY . 46.8 p-90 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 118.21 2.67 . . . . 0.6 118.21 -171.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.407 -2.591 0 CA-C-O 121.898 0.856 . . . . 0.6 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -119.23 -164.02 12.58 Favored Glycine 0 N--CA 1.499 2.887 0 CA-C-N 113.476 -1.693 . . . . 0.6 113.645 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -102.76 154.33 19.28 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 127.436 2.294 . . . . 0.6 111.912 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 1.9 t -133.92 125.58 28.57 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 123.446 2.839 . . . . 0.6 109.471 -159.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . 0.27 . . -127.17 125.17 40.65 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 121.087 1.767 . . . . 0.6 108.372 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 9.5 p -107.45 131.6 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.549 0 O-C-N 125.434 1.709 . . . . 0.6 114.721 158.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.355 6.8 p -162.43 95.14 0.91 Allowed 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 115.43 -2.508 . . . . 0.6 105.969 -164.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -127.89 141.82 51.44 Favored 'General case' 0 C--N 1.369 1.416 1 CA-C-N 108.39 -4.005 . . . . 0.81 112.397 -168.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -124.52 96.35 4.87 Favored 'General case' 0 C--O 1.249 1.057 0 O-C-N 125.577 1.798 . . . . 0.6 106.445 -172.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 22.6 p -114.47 64.46 0.67 Allowed 'General case' 0 C--O 1.199 -1.583 0 N-CA-C 104.394 -2.447 . . . . 0.6 104.394 -158.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -72.12 67.76 0.68 Allowed 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 123.754 1.74 . . . . 0.81 110.997 167.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -84.59 122.13 28.61 Favored 'General case' 0 N--CA 1.426 -1.663 0 O-C-N 117.48 -3.262 . . . . 0.6 111.747 164.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -131.8 129.41 40.48 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 103.777 -2.675 . . . . 0.73 103.777 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.5 118.87 37.4 Favored 'General case' 0 C--O 1.263 1.814 0 O-C-N 127.349 2.905 . . . . 0.6 109.389 174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . 0.48 ' HB3' ' HA ' ' C' ' 414' ' ' ALA . . . -58.12 -59.97 4.46 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-O 114.081 -2.866 . . . . 0.6 109.739 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -102.23 116.55 32.89 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-O 124.869 2.271 . . . . 0.8 110.479 159.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -68.46 45.3 0.36 Allowed Glycine 0 CA--C 1.553 2.465 0 C-N-CA 130.649 3.976 . . . . 0.6 110.699 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -81.48 32.44 0.35 Allowed 'General case' 0 CA--C 1.57 1.728 1 O-C-N 114.879 -4.895 . . . . 0.73 112.651 157.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.18 145.23 51.83 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 126.337 1.855 . . . . 0.6 110.178 -163.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -113.41 113.94 25.9 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 119.457 -2.027 . . . . 0.6 107.525 143.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -142.03 112.38 7.07 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 131.308 3.843 . . . . 0.6 113.527 -176.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -111.96 131.4 55.42 Favored 'General case' 0 C--O 1.254 1.327 0 C-N-CA 128.667 2.787 . . . . 0.6 111.636 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -150.31 109.03 3.84 Favored 'General case' 0 C--O 1.275 2.43 0 C-N-CA 125.808 1.643 . . . . 0.71 112.887 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -129.46 113.48 14.95 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.859 -1.543 . . . . 0.71 111.537 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.588 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -79.0 127.7 32.31 Favored 'General case' 0 N--CA 1.409 -2.521 0 O-C-N 126.58 2.425 . . . . 0.81 111.274 156.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.6 m -110.13 128.66 55.59 Favored 'General case' 0 C--N 1.367 1.342 0 CA-C-O 117.535 -1.221 . . . . 0.6 108.221 154.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.293 1.8 tm? -145.53 101.54 3.59 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 104.876 -2.268 . . . . 0.6 104.876 -151.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -131.17 140.58 49.95 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 125.514 1.526 . . . . 0.81 112.579 -174.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.281 3.1 t -103.17 5.24 37.64 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 118.912 -2.368 . . . . 0.6 106.916 171.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . 0.301 21.3 m 66.16 76.11 0.32 Allowed 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 125.244 2.449 . . . . 0.6 113.324 -166.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 69.8 p-90 . . . . . 0 N--CA 1.491 1.624 0 C-N-CA 128.452 2.701 . . . . 0.6 108.672 177.312 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 51.0 tpp . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 104.399 -2.445 . . . . 0.6 104.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 172.46 155.17 10.91 Favored Glycine 0 CA--C 1.561 2.965 0 O-C-N 126.492 2.37 . . . . 0.6 111.698 168.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -152.76 123.72 7.46 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 128.623 2.769 . . . . 0.6 111.404 -175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 24.4 p -128.27 164.99 21.38 Favored 'General case' 0 N--CA 1.518 2.93 0 N-CA-C 114.828 1.418 . . . . 0.6 114.828 171.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -144.04 140.94 29.82 Favored 'General case' 0 N--CA 1.41 -2.448 0 C-N-CA 127.805 2.442 . . . . 0.6 113.133 174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.09 127.98 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 103.89 -2.633 . . . . 0.6 103.89 170.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 73.7 m -133.31 124.55 27.45 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 117.994 -2.941 . . . . 0.6 106.473 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -133.2 158.18 43.53 Favored 'General case' 0 C--O 1.194 -1.824 0 O-C-N 119.391 -2.068 . . . . 0.81 107.711 -166.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 10.6 t-105 -142.32 126.86 17.86 Favored 'General case' 0 C--O 1.276 2.459 0 N-CA-C 104.001 -2.592 . . . . 0.6 104.001 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 90.5 m -124.96 113.28 17.61 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 127.262 2.851 . . . . 0.6 104.264 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -109.82 96.18 6.08 Favored 'General case' 0 C--O 1.25 1.087 0 C-N-CA 128.065 2.546 . . . . 0.81 110.626 169.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -132.09 102.37 5.78 Favored 'General case' 0 C--O 1.274 2.347 0 CA-C-O 124.1 1.905 . . . . 0.6 111.656 -163.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -124.44 132.1 53.5 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 111.547 -2.569 . . . . 0.73 111.25 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 98.0 m -138.17 117.21 12.51 Favored 'General case' 0 N--CA 1.411 -2.383 0 N-CA-C 101.605 -3.48 . . . . 0.6 101.605 -172.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.295 . . -76.52 -57.2 4.0 Favored 'General case' 0 CA--C 1.58 2.124 0 C-N-CA 129.108 2.963 . . . . 0.6 108.4 173.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -90.64 110.32 21.48 Favored 'General case' 0 C--O 1.271 2.216 0 CA-C-N 124.528 3.331 . . . . 0.8 109.922 174.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -48.76 119.02 5.42 Favored Glycine 0 CA--C 1.54 1.647 0 O-C-N 126.355 2.284 . . . . 0.6 117.364 -176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -155.19 -43.13 0.08 Allowed 'General case' 0 N--CA 1.51 2.557 0 CA-C-O 112.946 -3.407 . . . . 0.73 111.309 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 7.6 p -37.15 124.78 0.95 Allowed 'General case' 0 CA--C 1.578 2.023 1 O-C-N 131.336 5.397 . . . . 0.6 114.031 168.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -126.9 108.75 11.27 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 111.066 -2.788 . . . . 0.6 103.6 156.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -118.99 88.16 2.88 Favored 'General case' 0 C--O 1.191 -1.987 0 CA-C-O 128.184 3.849 . . . . 0.6 107.513 -174.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.91 136.99 56.22 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 112.124 -2.307 . . . . 0.6 116.712 154.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -144.25 115.27 7.87 Favored 'General case' 0 N--CA 1.42 -1.935 0 O-C-N 121.307 -0.871 . . . . 0.71 113.307 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -129.86 115.68 17.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 117.686 -3.134 . . . . 0.71 115.241 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.27 121.01 22.92 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 121.394 1.906 . . . . 0.81 106.075 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 154.6 24.81 Favored 'General case' 0 C--N 1.287 -2.115 0 C-N-CA 117.078 -1.849 . . . . 0.6 106.932 157.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 226' ' ' LEU . 1.9 pt? -126.61 137.09 53.27 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 118.57 -2.581 . . . . 0.6 106.012 146.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . 0.566 ' HA ' ' HG3' ' B' ' 327' ' ' GLU 0.296 1.5 mp0 -117.07 98.63 6.57 Favored 'General case' 0 N--CA 1.426 -1.665 0 C-N-CA 126.339 1.856 . . . . 0.81 106.149 -170.238 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 6.8 m -65.66 -31.42 72.42 Favored 'General case' 0 C--N 1.369 1.44 0 O-C-N 127.759 3.162 . . . . 0.6 114.208 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 1.4 p -127.39 -62.67 1.08 Allowed 'General case' 0 CA--C 1.589 2.453 0 C-N-CA 128.308 2.643 . . . . 0.6 112.073 -163.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . 0.296 50.5 m95 . . . . . 0 N--CA 1.427 -1.603 0 CA-C-O 125.425 2.536 . . . . 0.6 108.949 -175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 8.4 ptm . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 113.973 1.101 . . . . 0.6 113.973 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -158.54 140.33 6.87 Favored Glycine 0 CA--C 1.558 2.77 0 O-C-N 120.38 -1.45 . . . . 0.6 112.944 -167.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 64.36 -141.9 0.27 Allowed 'General case' 0 N--CA 1.423 -1.818 0 C-N-CA 129.726 3.21 . . . . 0.6 112.966 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 6.5 m -137.0 141.4 42.54 Favored 'General case' 0 C--O 1.282 2.775 0 O-C-N 118.996 -2.315 . . . . 0.6 112.616 -143.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -138.63 115.8 11.03 Favored 'General case' 0 C--O 1.258 1.518 0 N-CA-C 118.05 2.611 . . . . 0.6 118.05 -165.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.424 HG12 HG12 ' C' ' 405' ' ' VAL 0.264 0.5 OUTLIER -125.38 137.13 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-O 124.729 2.204 . . . . 0.6 108.109 -171.146 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 12.5 m -131.09 153.76 48.99 Favored 'General case' 0 CA--C 1.475 -1.921 0 N-CA-C 102.714 -3.069 . . . . 0.6 102.714 176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -142.03 138.11 31.58 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 130.162 3.385 . . . . 0.81 108.047 164.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -120.85 115.47 23.31 Favored 'General case' 0 C--O 1.256 1.417 0 C-N-CA 126.26 1.824 . . . . 0.6 109.627 162.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 20.7 m -133.17 129.6 38.04 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-N 119.586 1.085 . . . . 0.6 112.889 -165.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -121.87 114.87 21.64 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-N 111.376 -2.647 . . . . 0.81 110.611 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.17 109.97 11.22 Favored 'General case' 0 N--CA 1.431 -1.379 0 O-C-N 126.396 2.31 . . . . 0.6 109.859 -174.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -132.28 56.86 1.81 Allowed 'General case' 1 N--CA 1.357 -5.097 0 N-CA-C 107.615 -1.254 . . . . 0.73 107.615 -165.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 59.4 m -114.83 90.44 3.34 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 117.261 -1.352 . . . . 0.6 112.704 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -46.57 -63.38 1.03 Allowed 'General case' 0 C--N 1.379 1.874 0 O-C-N 126.529 2.393 . . . . 0.6 114.588 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.0 118.68 0.91 Allowed 'General case' 0 C--O 1.258 1.508 0 CA-C-N 111.384 -2.643 . . . . 0.8 113.111 -177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -59.75 93.5 0.06 OUTLIER Glycine 0 C--N 1.371 2.493 0 O-C-N 125.44 1.712 . . . . 0.6 113.726 172.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -162.24 -83.0 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 126.573 1.949 . . . . 0.73 110.998 -175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 13.7 m 7.43 108.7 0.0 OUTLIER 'General case' 0 C--O 1.257 1.491 1 C-N-CA 135.019 5.328 . . . . 0.6 117.015 165.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -103.79 119.15 38.33 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 104.805 -2.294 . . . . 0.6 104.805 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -121.14 108.85 14.29 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 127.436 2.96 . . . . 0.6 106.954 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -111.16 136.14 50.66 Favored 'General case' 0 N--CA 1.499 2.002 0 C-N-CA 118.131 -1.427 . . . . 0.6 109.844 165.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -139.11 131.37 28.28 Favored 'General case' 0 C--O 1.168 -3.226 0 CA-C-N 119.849 1.204 . . . . 0.71 108.245 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -136.0 140.75 44.14 Favored 'General case' 0 CA--C 1.574 1.887 0 CA-C-O 125.766 2.698 . . . . 0.71 105.426 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -153.5 106.63 2.95 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.057 -1.831 . . . . 0.81 106.057 -163.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 11.4 m -127.82 109.95 12.12 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 119.659 1.118 . . . . 0.6 113.084 -170.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 326' ' ' LEU . 7.0 mp -102.03 129.57 48.37 Favored 'General case' 0 N--CA 1.42 -1.941 0 N-CA-C 102.342 -3.207 . . . . 0.6 102.342 178.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 227' ' ' GLU . 0.0 OUTLIER -118.64 130.75 56.04 Favored 'General case' 0 C--O 1.264 1.844 0 C-N-CA 124.744 1.218 . . . . 0.81 108.967 173.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.3 p -124.74 122.84 38.59 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 102.66 -3.089 . . . . 0.6 102.66 149.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 54.5 p -132.04 153.23 50.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 118.26 -2.775 . . . . 0.6 104.426 -174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 . . . . . 0 C--N 1.38 1.917 0 CA-C-N 112.131 -2.304 . . . . 0.6 116.049 -173.362 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 38.7 mtt . . . . . 0 CA--C 1.571 1.788 0 N-CA-C 115.322 1.601 . . . . 0.6 115.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 67.68 58.92 7.08 Favored Glycine 0 N--CA 1.481 1.686 0 CA-C-O 123.861 1.812 . . . . 0.6 108.877 -172.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.35 157.18 31.89 Favored 'General case' 0 C--O 1.259 1.588 0 N-CA-C 117.766 2.506 . . . . 0.6 117.766 -161.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.261 22.0 p -126.47 136.15 52.26 Favored 'General case' 0 C--O 1.205 -1.239 0 O-C-N 117.726 -3.109 . . . . 0.6 112.268 163.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . 0.339 . . -137.59 115.55 11.55 Favored 'General case' 0 C--O 1.278 2.591 0 C-N-CA 125.561 1.545 . . . . 0.6 114.704 -171.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . 0.52 HG13 ' HG ' ' C' ' 426' ' ' LEU . 22.7 m -107.27 109.65 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-N 118.749 0.704 . . . . 0.6 110.929 176.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 67.5 m -118.17 98.79 6.48 Favored 'General case' 0 C--O 1.247 0.934 0 O-C-N 125.675 1.859 . . . . 0.6 112.338 -172.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -125.47 115.32 20.06 Favored 'General case' 0 C--N 1.372 1.569 0 C-N-CA 126.441 1.896 . . . . 0.81 113.268 -151.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -112.04 108.46 17.77 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-O 116.075 -1.917 . . . . 0.6 115.41 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 39.0 m -124.31 122.42 37.67 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 121.663 2.029 . . . . 0.6 111.125 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -112.18 108.38 17.61 Favored 'General case' 0 C--O 1.303 3.869 0 C-N-CA 130.818 3.647 . . . . 0.81 108.604 165.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -128.86 134.59 48.35 Favored 'General case' 0 C--N 1.381 1.953 0 CA-C-N 109.806 -3.361 . . . . 0.6 111.759 -169.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -136.7 136.56 39.13 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 129.342 3.057 . . . . 0.73 110.16 -169.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . 0.332 47.5 m -149.07 155.04 40.15 Favored 'General case' 0 C--O 1.26 1.627 0 C-N-CA 129.355 3.062 . . . . 0.6 106.9 179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . 0.256 . . -97.11 -74.77 0.56 Allowed 'General case' 0 C--O 1.275 2.439 0 O-C-N 120.902 -1.124 . . . . 0.6 108.461 167.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.54 105.24 12.54 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.816 2.446 . . . . 0.8 108.031 -176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -73.41 23.83 0.95 Allowed Glycine 0 C--N 1.38 3.018 0 CA-C-N 119.854 1.206 . . . . 0.6 114.704 -170.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -70.26 -8.95 54.28 Favored 'General case' 0 N--CA 1.401 -2.891 0 O-C-N 120.096 -1.826 . . . . 0.73 111.584 164.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 2.9 m -48.96 144.67 4.49 Favored 'General case' 0 CA--C 1.594 2.645 0 C-N-CA 126.067 1.747 . . . . 0.6 109.915 161.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -109.45 129.88 55.53 Favored 'General case' 0 C--O 1.286 2.997 0 O-C-N 126.848 2.592 . . . . 0.6 117.416 178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -139.68 127.97 22.65 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-N 121.148 1.794 . . . . 0.6 111.09 -173.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -130.92 125.48 33.6 Favored 'General case' 0 N--CA 1.418 -2.036 0 N-CA-C 103.665 -2.717 . . . . 0.6 103.665 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . 0.262 2.9 t30 -127.29 102.43 6.91 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 113.296 0.851 . . . . 0.71 113.296 174.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -120.65 124.52 45.44 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 116.657 -3.777 . . . . 0.71 106.329 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.2 ttm105 -128.36 119.15 24.48 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 113.108 -1.86 . . . . 0.81 109.093 -167.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 12.4 m -119.25 130.23 55.33 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 127.355 2.909 . . . . 0.6 113.155 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . 0.52 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -150.65 129.19 12.21 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 119.477 -2.015 . . . . 0.6 111.034 167.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.264 11.5 pt-20 -125.42 119.07 27.26 Favored 'General case' 0 C--N 1.397 2.66 0 CA-C-O 124.405 2.05 . . . . 0.81 109.988 -176.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 71.2 m -82.32 103.85 12.2 Favored 'General case' 0 N--CA 1.4 -2.931 0 C-N-CA 127.393 2.277 . . . . 0.6 111.239 172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.49 128.04 21.48 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.686 -1.259 . . . . 0.6 109.659 162.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 15.3 p-90 . . . . . 0 CA--C 1.579 2.059 0 CA-C-N 115.046 -0.979 . . . . 0.6 112.967 -174.598 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 C--O 1.248 1.018 0 CA-C-O 125.255 2.455 . . . . 0.6 107.769 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -154.27 -175.93 26.02 Favored Glycine 0 C--N 1.386 3.347 0 C-N-CA 128.327 2.87 . . . . 0.6 116.926 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -79.09 148.74 32.3 Favored 'General case' 0 C--O 1.211 -0.94 0 O-C-N 119.912 -1.934 . . . . 0.6 109.883 -168.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 5.0 t -128.93 134.23 48.15 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 108.874 -0.788 . . . . 0.6 108.874 -174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -131.47 138.11 48.86 Favored 'General case' 0 CA--C 1.576 1.951 0 O-C-N 120.433 -1.417 . . . . 0.6 110.325 172.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.2 144.32 31.89 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.303 0 CA-C-O 126.131 2.872 . . . . 0.6 105.691 160.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.27 3.5 m -155.13 83.04 1.07 Allowed 'General case' 0 CA--C 1.572 1.805 0 O-C-N 118.201 -2.812 . . . . 0.6 104.391 -172.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -92.03 120.29 32.53 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 126.248 2.218 . . . . 0.81 111.013 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -106.27 88.51 2.8 Favored 'General case' 0 N--CA 1.408 -2.567 0 N-CA-C 106.688 -1.597 . . . . 0.6 106.688 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 7.6 p -109.7 129.49 55.6 Favored 'General case' 0 N--CA 1.388 -3.569 0 C-N-CA 130.898 3.679 . . . . 0.6 114.229 -176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -138.38 111.07 7.61 Favored 'General case' 0 C--O 1.195 -1.797 0 CA-C-N 110.917 -2.856 . . . . 0.81 104.458 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -133.82 139.64 46.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 104.511 -2.403 . . . . 0.6 104.511 -174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -144.37 123.68 13.04 Favored 'General case' 0 N--CA 1.419 -1.996 0 O-C-N 124.901 1.376 . . . . 0.73 112.816 -171.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -109.51 157.07 19.36 Favored 'General case' 0 C--N 1.378 1.847 0 C-N-CA 126.678 1.991 . . . . 0.6 111.961 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -89.66 -56.06 3.4 Favored 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 129.317 3.047 . . . . 0.6 108.669 168.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -111.89 98.12 7.16 Favored 'General case' 0 C--O 1.271 2.215 0 O-C-N 120.281 -1.512 . . . . 0.8 111.853 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -67.79 53.76 0.36 Allowed Glycine 0 C--O 1.201 -1.93 0 N-CA-C 117.147 1.619 . . . . 0.6 117.147 -162.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' D' ' 517' ' ' LYS . 9.6 mmmm -78.02 15.43 0.9 Allowed 'General case' 0 CA--C 1.592 2.591 0 O-C-N 116.853 -3.734 . . . . 0.73 108.54 176.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.27 126.55 23.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 129.147 2.979 . . . . 0.6 111.594 -155.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -101.14 94.03 5.77 Favored 'General case' 0 C--O 1.254 1.327 0 N-CA-C 102.351 -3.203 . . . . 0.6 102.351 174.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -126.06 123.74 39.06 Favored 'General case' 0 N--CA 1.521 3.121 0 C-N-CA 125.798 1.639 . . . . 0.6 112.266 -167.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -118.4 137.76 52.91 Favored 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 125.506 1.522 . . . . 0.6 113.132 167.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -143.83 124.57 14.17 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 126.414 1.885 . . . . 0.71 106.378 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -135.97 138.19 42.04 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.738 -2.028 . . . . 0.71 110.415 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -125.19 122.18 36.29 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 105.711 -1.959 . . . . 0.81 105.711 164.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 22.0 m -100.61 101.06 11.87 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 102.668 -3.086 . . . . 0.6 102.668 165.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -109.25 101.84 10.82 Favored 'General case' 0 C--N 1.378 1.841 0 C-N-CA 130.336 3.454 . . . . 0.6 108.404 -167.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . 0.267 70.5 mm-40 -126.76 125.72 42.22 Favored 'General case' 0 C--O 1.29 3.214 0 N-CA-C 117.059 2.244 . . . . 0.81 117.059 -172.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -4.56 54.01 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 124.656 1.182 . . . . 0.6 109.772 167.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 16.9 m 52.31 83.88 0.06 Allowed 'General case' 0 CA--C 1.563 1.446 0 CA-C-N 122.677 2.489 . . . . 0.6 112.531 -149.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.266 40.1 p-90 . . . . . 0 CA--C 1.587 2.39 0 C-N-CA 127.366 2.267 . . . . 0.6 113.619 174.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.0 tpt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 113.863 1.06 . . . . 0.6 113.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 130.14 178.56 15.48 Favored Glycine 0 N--CA 1.428 -1.856 0 C-N-CA 129.09 3.233 . . . . 0.6 115.455 171.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . 0.298 . . -133.64 144.91 49.52 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-O 115.246 -2.311 . . . . 0.6 116.831 -172.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 67.9 p -139.51 158.48 44.07 Favored 'General case' 0 C--O 1.277 2.517 0 C-N-CA 127.087 2.155 . . . . 0.6 112.482 171.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -129.78 133.36 46.93 Favored 'General case' 0 N--CA 1.442 -0.839 1 C-N-CA 131.776 4.03 . . . . 0.6 107.985 173.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.521 ' N ' HD13 ' A' ' 226' ' ' LEU . 3.9 t -125.61 129.68 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 128.457 2.703 . . . . 0.6 105.075 156.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.7 m -145.4 127.12 15.26 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 114.134 -2.841 . . . . 0.6 105.432 -173.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -146.62 169.41 19.05 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 125.577 1.798 . . . . 0.81 111.077 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -118.4 139.9 50.68 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 129.046 2.939 . . . . 0.6 111.67 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . 0.387 8.5 m -127.87 122.28 32.16 Favored 'General case' 0 C--O 1.262 1.734 0 O-C-N 126.071 2.107 . . . . 0.6 112.437 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -126.61 85.38 2.37 Favored 'General case' 0 C--O 1.203 -1.375 0 C-N-CA 126.28 1.832 . . . . 0.81 106.735 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . 0.301 2.1 m-85 -104.53 105.99 16.32 Favored 'General case' 0 C--O 1.268 2.038 0 C-N-CA 125.471 1.508 . . . . 0.6 111.396 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . 0.258 0.2 OUTLIER -133.88 114.11 12.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 118.984 -2.322 . . . . 0.73 104.839 -177.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . 0.271 76.8 m -112.62 108.18 17.15 Favored 'General case' 0 C--O 1.248 0.992 0 O-C-N 125.535 1.772 . . . . 0.6 111.328 -178.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . 0.259 . . -62.6 -43.66 98.26 Favored 'General case' 0 C--O 1.255 1.344 0 CA-C-N 119.544 1.065 . . . . 0.6 113.453 179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -117.32 117.24 28.99 Favored 'General case' 0 C--O 1.22 -0.47 0 O-C-N 120.406 -1.434 . . . . 0.8 108.283 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -47.6 117.98 3.82 Favored Glycine 1 N--CA 1.526 4.662 0 CA-C-O 125.514 2.73 . . . . 0.6 108.631 -170.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -154.57 -43.94 0.09 Allowed 'General case' 0 C--O 1.196 -1.739 0 O-C-N 120.568 -1.548 . . . . 0.73 113.218 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 8.4 p -80.03 135.12 36.29 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 125.487 2.565 . . . . 0.6 111.575 -157.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -113.25 114.98 27.48 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 109.304 -3.589 . . . . 0.6 105.571 169.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.268 7.5 t80 -122.51 88.58 2.96 Favored 'General case' 0 N--CA 1.512 2.659 0 O-C-N 118.522 -2.611 . . . . 0.6 111.119 -175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -88.53 121.99 31.51 Favored 'General case' 0 C--O 1.273 2.337 0 C-N-CA 126.541 1.936 . . . . 0.6 107.796 172.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -131.74 128.27 38.54 Favored 'General case' 0 N--CA 1.515 2.806 0 C-N-CA 125.568 1.547 . . . . 0.71 108.311 167.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -144.46 98.75 3.25 Favored 'General case' 0 N--CA 1.524 3.242 0 N-CA-C 103.46 -2.793 . . . . 0.71 103.46 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 224' ' ' ARG . 6.1 ttp85 -125.62 128.19 47.5 Favored 'General case' 0 CA--C 1.457 -2.628 0 N-CA-C 106.572 -1.64 . . . . 0.81 106.572 -172.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 79.8 p -87.03 171.07 11.01 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 126.06 1.744 . . . . 0.6 106.63 170.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 205' ' ' VAL . 1.6 pt? -141.93 152.24 43.34 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 106.225 -1.769 . . . . 0.6 106.225 137.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -132.12 111.05 11.13 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 118.945 -2.347 . . . . 0.81 112.005 -171.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 12.1 m -85.3 -41.91 15.1 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-O 124.775 2.226 . . . . 0.6 112.318 -169.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . 0.303 80.8 p -121.76 -46.39 2.24 Favored 'General case' 0 N--CA 1.405 -2.681 0 C-N-CA 127.549 2.34 . . . . 0.6 114.313 -159.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 98.0 m95 . . . . . 0 C--O 1.273 2.326 0 C-N-CA 128.706 2.802 . . . . 0.6 111.87 171.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.277 26.5 ptm . . . . . 0 N--CA 1.502 2.168 0 CA-C-O 124.977 2.322 . . . . 0.6 112.155 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -141.4 140.02 9.93 Favored Glycine 1 N--CA 1.387 -4.616 0 CA-C-O 114.281 -3.511 . . . . 0.6 109.287 165.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 76.95 -153.65 0.03 OUTLIER 'General case' 0 N--CA 1.434 -1.251 1 C-N-CA 131.704 4.002 . . . . 0.6 109.296 -177.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -132.12 142.15 49.39 Favored 'General case' 0 C--N 1.358 0.938 0 C-N-CA 115.847 -2.341 . . . . 0.6 110.29 -134.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -125.5 131.98 52.72 Favored 'General case' 0 CA--C 1.569 1.674 0 CA-C-O 125.388 2.518 . . . . 0.6 109.317 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.353 0.9 OUTLIER -122.78 143.45 35.64 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.801 0 O-C-N 117.673 -3.142 . . . . 0.6 117.396 164.033 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 14.4 m -144.23 137.1 27.09 Favored 'General case' 0 C--N 1.289 -2.046 0 O-C-N 125.28 1.612 . . . . 0.6 108.193 -175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -141.13 139.28 33.93 Favored 'General case' 0 N--CA 1.407 -2.585 0 C-N-CA 129.742 3.217 . . . . 0.81 113.02 167.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 8.9 m-90 -128.89 109.12 10.98 Favored 'General case' 0 N--CA 1.423 -1.805 0 O-C-N 126.018 2.074 . . . . 0.6 109.823 169.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 93.3 m -114.76 144.55 43.31 Favored 'General case' 0 CA--C 1.582 2.181 0 N-CA-C 118.048 2.61 . . . . 0.6 118.048 -174.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' B' ' 312' ' ' LYS . 50.1 tt0 -128.1 120.98 28.5 Favored 'General case' 0 C--N 1.39 2.354 0 N-CA-C 105.039 -2.208 . . . . 0.81 105.039 169.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.86 115.75 25.07 Favored 'General case' 0 C--O 1.27 2.135 0 N-CA-C 105.504 -2.036 . . . . 0.6 105.504 173.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . 0.408 ' HG2' ' HG2' ' B' ' 310' ' ' GLU . 20.5 mmtp -129.25 53.46 1.88 Allowed 'General case' 0 C--O 1.256 1.401 0 N-CA-C 115.512 1.671 . . . . 0.73 115.512 176.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . 0.425 HG21 ' OG1' ' B' ' 318' ' ' THR . 46.7 m -108.39 118.78 37.67 Favored 'General case' 0 CA--C 1.561 1.39 0 CA-C-O 123.888 1.804 . . . . 0.6 106.68 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -73.41 -52.7 12.83 Favored 'General case' 0 C--O 1.258 1.504 0 CA-C-N 109.912 -3.313 . . . . 0.6 112.367 -173.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.29 128.23 33.1 Favored 'General case' 0 CA--C 1.475 -1.923 0 O-C-N 127.59 3.056 . . . . 0.8 112.021 -171.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -74.31 91.2 0.73 Allowed Glycine 0 N--CA 1.431 -1.634 0 O-C-N 119.327 -2.108 . . . . 0.6 111.709 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -171.7 -42.06 0.02 OUTLIER 'General case' 0 C--O 1.252 1.185 0 CA-C-N 112.943 -1.629 . . . . 0.73 112.91 -168.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . 0.425 ' OG1' HG21 ' B' ' 313' ' ' THR . 3.4 m -44.19 133.4 5.32 Favored 'General case' 0 C--N 1.361 1.097 0 O-C-N 120.219 -1.55 . . . . 0.6 112.858 -175.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -104.93 131.3 52.6 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.809 -1.182 . . . . 0.6 107.895 173.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' C' ' 420' ' ' TYR . 26.3 t80 -129.53 135.74 48.97 Favored 'General case' 0 C--O 1.262 1.729 0 CA-C-O 117.127 -1.416 . . . . 0.6 108.685 173.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -138.56 128.74 25.68 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 116.287 -1.816 . . . . 0.6 109.426 171.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.73 122.99 18.17 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 120.073 1.306 . . . . 0.71 109.507 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -121.65 127.53 50.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 111.613 -2.54 . . . . 0.71 107.498 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -138.8 126.43 21.99 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 115.374 -2.251 . . . . 0.81 111.8 -170.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 20.4 m -141.41 94.68 2.72 Favored 'General case' 0 C--N 1.378 1.809 0 O-C-N 127.84 3.212 . . . . 0.6 114.156 -163.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 1.7 mp -96.15 119.69 35.1 Favored 'General case' 0 C--N 1.374 1.671 0 O-C-N 120.648 -1.283 . . . . 0.6 108.562 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -109.67 140.95 42.91 Favored 'General case' 0 C--O 1.251 1.177 0 N-CA-C 115.935 1.828 . . . . 0.81 115.935 174.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 91.2 p -138.42 115.49 10.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 105.553 -2.017 . . . . 0.6 105.553 153.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 34.7 p -134.39 155.2 50.71 Favored 'General case' 0 C--O 1.206 -1.234 0 CA-C-O 123.455 1.598 . . . . 0.6 109.61 -170.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 . . . . . 0 C--O 1.189 -2.128 0 CA-C-N 113.162 -1.836 . . . . 0.6 113.914 179.069 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 45.7 mtt . . . . . 0 N--CA 1.438 -1.041 1 N-CA-C 122.531 4.271 . . . . 0.6 122.531 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 48.86 58.2 7.9 Favored Glycine 0 C--N 1.372 2.573 0 O-C-N 125.012 1.445 . . . . 0.6 112.778 -169.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -158.81 151.72 22.21 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 124.193 1.949 . . . . 0.6 112.363 -170.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 38.0 p -118.59 128.16 54.29 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 117.173 -3.454 . . . . 0.6 109.204 170.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -133.4 129.55 37.52 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.66 -0.496 . . . . 0.6 109.66 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.48 104.03 16.42 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.053 0 C-N-CA 126.544 1.938 . . . . 0.6 111.868 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 52.2 m -112.59 111.33 22.08 Favored 'General case' 0 N--CA 1.512 2.646 0 N-CA-C 106.523 -1.658 . . . . 0.6 106.523 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -131.19 139.75 49.79 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 125.121 1.513 . . . . 0.81 110.86 -162.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -139.77 102.01 4.33 Favored 'General case' 0 CA--C 1.594 2.64 0 N-CA-C 107.296 -1.372 . . . . 0.6 107.296 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 7.9 m -117.14 116.49 27.41 Favored 'General case' 0 C--N 1.368 1.396 0 O-C-N 127.238 2.836 . . . . 0.6 115.482 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -115.71 107.95 15.74 Favored 'General case' 0 CA--C 1.485 -1.527 0 N-CA-C 103.996 -2.594 . . . . 0.81 103.996 175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . 0.302 14.4 t80 -123.78 129.45 51.07 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-O 118.258 -0.877 . . . . 0.6 109.502 -166.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -137.93 130.42 29.4 Favored 'General case' 0 CA--C 1.463 -2.384 0 CA-C-O 122.839 1.304 . . . . 0.73 108.298 -172.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 18.9 m -133.19 158.85 41.81 Favored 'General case' 0 C--O 1.276 2.469 0 C-N-CA 129.243 3.017 . . . . 0.6 106.015 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -88.39 -82.57 0.23 Allowed 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.808 1.317 . . . . 0.6 112.425 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -85.21 128.15 34.56 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 118.934 -2.354 . . . . 0.8 114.504 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -86.22 19.36 27.36 Favored Glycine 0 N--CA 1.461 0.326 0 C-N-CA 117.272 -2.395 . . . . 0.6 107.74 -164.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -65.98 -10.9 43.67 Favored 'General case' 0 CA--C 1.596 2.747 0 CA-C-N 120.41 2.105 . . . . 0.73 106.579 168.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.8 m -59.74 138.33 57.8 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 118.568 -2.583 . . . . 0.6 107.374 169.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -112.39 139.26 48.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 127.223 2.209 . . . . 0.6 107.398 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . 0.491 ' CD2' ' CD2' ' B' ' 320' ' ' TYR . 51.3 t80 -148.26 130.0 15.11 Favored 'General case' 0 C--O 1.274 2.393 0 C-N-CA 130.523 3.529 . . . . 0.6 106.984 -169.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . 0.295 15.5 t80 -139.66 131.48 27.55 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 105.409 -2.071 . . . . 0.6 105.409 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -135.92 125.43 25.13 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 120.926 -1.109 . . . . 0.71 111.842 169.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -130.6 99.27 4.91 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 106.4 -1.704 . . . . 0.71 106.4 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 10.4 mtm105 -97.89 133.77 41.93 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 123.659 1.695 . . . . 0.81 111.496 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 47.5 m -128.47 133.1 48.42 Favored 'General case' 0 N--CA 1.38 -3.943 0 CA-C-O 115.355 -2.26 . . . . 0.6 109.152 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.03 137.49 22.29 Favored 'General case' 0 C--N 1.366 1.309 0 CA-C-N 121.137 1.79 . . . . 0.6 110.606 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.352 5.6 pt-20 -133.76 123.29 24.62 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 117.201 2.297 . . . . 0.81 117.201 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . 0.549 ' HB2' ' HA ' ' D' ' 528' ' ' SER . 69.1 m -91.24 104.75 17.26 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 126.105 2.128 . . . . 0.6 109.252 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . 0.487 HG23 HG21 ' D' ' 529' ' ' THR . 0.2 OUTLIER -141.29 118.52 11.37 Favored 'General case' 0 C--O 1.266 1.964 0 O-C-N 119.158 -2.213 . . . . 0.6 109.915 166.465 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 . . . . . 0 C--O 1.296 3.526 0 CA-C-O 118.44 -0.791 . . . . 0.6 111.436 172.275 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . 0.389 21.3 ptt? . . . . . 0 C--O 1.261 1.701 0 N-CA-C 105.231 -2.137 . . . . 0.6 105.231 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -162.4 -178.53 36.34 Favored Glycine 0 N--CA 1.428 -1.899 0 CA-C-O 118.256 -1.302 . . . . 0.6 113.339 -174.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -90.15 166.27 13.48 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 118.24 -1.384 . . . . 0.6 109.181 -173.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . 0.293 3.9 t -140.18 158.44 44.04 Favored 'General case' 0 N--CA 1.438 -1.052 0 O-C-N 119.898 -1.751 . . . . 0.6 112.658 -170.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -151.64 135.08 16.1 Favored 'General case' 0 N--CA 1.53 3.552 0 O-C-N 119.477 -2.014 . . . . 0.6 112.296 173.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 4.0 p -119.76 130.95 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.812 0 O-C-N 125.184 1.553 . . . . 0.6 111.395 165.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.363 3.3 m -155.77 87.1 1.07 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 106.682 -1.599 . . . . 0.6 106.682 -175.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -96.14 115.12 26.93 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.972 2.509 . . . . 0.81 106.445 174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -95.77 100.26 11.99 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.176 -0.92 . . . . 0.6 110.355 167.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 2.6 p -122.98 123.94 42.03 Favored 'General case' 0 CA--C 1.588 2.429 0 C-N-CA 129.153 2.981 . . . . 0.6 109.272 -165.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -119.87 137.79 53.79 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.784 -2.302 . . . . 0.81 104.784 165.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 6.2 p90 -143.9 124.93 14.39 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 118.667 -0.682 . . . . 0.6 110.367 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -137.75 114.95 10.94 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 121.674 2.033 . . . . 0.73 109.916 -173.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.0 139.13 37.12 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 125.966 1.706 . . . . 0.6 107.536 163.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -60.52 -52.96 62.96 Favored 'General case' 0 C--O 1.297 3.568 0 CA-C-O 117.504 -1.236 . . . . 0.6 108.762 161.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -124.77 109.57 13.26 Favored 'General case' 0 C--N 1.362 1.14 0 CA-C-O 124.522 2.106 . . . . 0.8 107.815 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -77.86 68.12 2.84 Favored Glycine 0 C--O 1.192 -2.51 0 C-N-CA 127.306 2.384 . . . . 0.6 110.612 -157.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -106.09 23.24 14.36 Favored 'General case' 0 N--CA 1.421 -1.909 0 O-C-N 120.399 -1.647 . . . . 0.73 110.542 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -54.91 113.83 1.49 Allowed 'General case' 0 C--O 1.189 -2.117 0 C-N-CA 128.564 2.746 . . . . 0.6 115.441 -163.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -85.66 108.42 18.0 Favored 'General case' 0 C--N 1.37 1.463 0 O-C-N 118.983 -2.323 . . . . 0.6 109.866 162.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -141.39 119.1 11.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 129.694 3.198 . . . . 0.6 106.689 -163.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -117.68 143.61 46.02 Favored 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.903 2.627 . . . . 0.6 111.117 157.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -145.13 131.78 19.93 Favored 'General case' 0 CA--C 1.456 -2.664 0 O-C-N 126.333 2.271 . . . . 0.71 108.242 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -141.06 136.56 32.14 Favored 'General case' 0 C--O 1.192 -1.973 0 O-C-N 125.494 1.746 . . . . 0.71 111.914 170.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.55 117.55 34.45 Favored 'General case' 0 N--CA 1.508 2.455 0 C-N-CA 126.493 1.917 . . . . 0.81 108.919 159.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 3.4 m -96.81 107.07 19.49 Favored 'General case' 0 N--CA 1.41 -2.453 0 N-CA-C 104.655 -2.35 . . . . 0.6 104.655 157.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -123.73 105.06 9.37 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 101.343 -3.577 . . . . 0.6 101.343 -168.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -124.75 150.51 46.17 Favored 'General case' 0 C--O 1.264 1.834 0 N-CA-C 119.544 3.164 . . . . 0.81 119.544 172.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . 0.549 ' HA ' ' HB2' ' C' ' 428' ' ' SER . 0.2 OUTLIER -121.43 2.18 10.2 Favored 'General case' 0 N--CA 1.499 2.014 0 C-N-CA 130.36 3.464 . . . . 0.6 109.958 -177.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . 0.487 HG21 HG23 ' C' ' 429' ' ' THR . 16.1 m 66.5 88.22 0.11 Allowed 'General case' 0 CA--C 1.594 2.646 0 CA-C-O 125.28 2.467 . . . . 0.6 112.767 -179.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 N--CA 1.406 -2.627 0 C-N-CA 129.244 3.018 . . . . 0.6 112.855 166.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 107.667 -1.235 . . . . 0.6 107.667 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . -178.02 112.14 0.36 Allowed Glycine 0 CA--C 1.556 2.645 0 CA-C-O 123.033 1.352 . . . . 0.6 110.094 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -155.73 134.29 11.77 Favored 'General case' 0 C--N 1.382 1.981 0 O-C-N 118.324 -2.868 . . . . 0.6 111.569 -171.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.4 p -147.68 150.5 34.48 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 125.409 1.693 . . . . 0.6 107.646 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -121.5 148.71 44.11 Favored 'General case' 0 C--O 1.25 1.123 0 C-N-CA 129.381 3.072 . . . . 0.6 114.933 162.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.429 ' HB ' HD22 ' A' ' 226' ' ' LEU . 2.4 t -132.86 136.98 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.798 0 CA-C-O 115.735 -2.079 . . . . 0.6 107.859 168.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.2 p -148.7 125.85 11.43 Favored 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 129.729 3.211 . . . . 0.6 109.092 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . 0.624 ' HG2' HH22 ' B' ' 324' ' ' ARG . 17.0 pt-20 -135.21 166.95 21.91 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 115.378 1.622 . . . . 0.81 115.378 166.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -123.02 124.58 43.46 Favored 'General case' 0 C--O 1.264 1.834 0 O-C-N 125.734 1.896 . . . . 0.6 109.958 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 9.3 m -124.61 111.4 15.59 Favored 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 123.736 1.731 . . . . 0.6 109.802 -170.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -124.56 92.8 3.73 Favored 'General case' 0 C--N 1.291 -1.957 0 N-CA-C 100.735 -3.802 . . . . 0.81 100.735 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -120.27 134.68 55.21 Favored 'General case' 0 N--CA 1.42 -1.948 0 CA-C-N 122.004 2.184 . . . . 0.6 108.812 -176.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -152.31 107.43 3.26 Favored 'General case' 0 CA--C 1.589 2.474 1 C-N-CA 132.566 4.346 . . . . 0.73 105.691 176.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 24.9 m -98.08 144.39 27.62 Favored 'General case' 0 CA--C 1.62 3.656 0 C-N-CA 129.301 3.04 . . . . 0.6 107.154 163.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -102.7 -62.15 1.31 Allowed 'General case' 0 C--O 1.267 1.974 0 CA-C-O 114.916 -2.468 . . . . 0.6 109.653 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -85.43 112.29 20.73 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 106.236 -1.765 . . . . 0.8 106.236 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -46.01 121.54 5.34 Favored Glycine 0 CA--C 1.574 3.78 0 O-C-N 124.928 1.393 . . . . 0.6 113.923 -173.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -159.29 -36.55 0.06 Allowed 'General case' 0 CA--C 1.576 1.942 0 O-C-N 117.532 -3.334 . . . . 0.73 116.314 -173.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.5 149.04 44.47 Favored 'General case' 0 C--O 1.262 1.735 0 C-N-CA 118.654 -1.218 . . . . 0.6 108.872 -147.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -124.17 108.75 12.63 Favored 'General case' 0 N--CA 1.51 2.526 0 CA-C-O 114.139 -2.839 . . . . 0.6 109.297 162.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . 0.293 16.2 t80 -117.55 110.53 18.05 Favored 'General case' 0 N--CA 1.421 -1.884 0 O-C-N 126.83 2.581 . . . . 0.6 114.222 -177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -108.02 128.95 55.11 Favored 'General case' 0 CA--C 1.551 1.016 1 C-N-CA 133.657 4.783 . . . . 0.6 107.11 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -145.29 87.71 1.82 Allowed 'General case' 0 C--O 1.265 1.871 0 CA-C-N 111.171 -2.74 . . . . 0.71 110.653 172.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -86.16 93.98 9.17 Favored 'General case' 0 CA--C 1.591 2.55 0 C-N-CA 127.842 2.457 . . . . 0.71 109.087 171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . 0.429 HH21 ' CD ' ' A' ' 207' ' ' GLU . 4.7 ttp85 -129.6 116.25 18.6 Favored 'General case' 0 C--N 1.388 2.244 0 O-C-N 120.356 -1.465 . . . . 0.81 111.391 -173.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 25.9 p -79.53 174.79 11.22 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-O 124.423 2.058 . . . . 0.6 106.194 173.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 205' ' ' VAL . 2.2 pt? -150.29 159.27 44.57 Favored 'General case' 0 C--O 1.261 1.704 0 CA-C-N 109.762 -3.381 . . . . 0.6 104.827 138.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -130.82 68.29 1.48 Allowed 'General case' 0 C--O 1.262 1.74 1 O-C-N 130.048 4.593 . . . . 0.81 110.228 -150.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 57.9 m -60.66 -29.49 69.32 Favored 'General case' 0 N--CA 1.511 2.578 0 N-CA-C 115.967 1.84 . . . . 0.6 115.967 -166.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 72.4 p -133.58 -44.05 0.83 Allowed 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 128.865 2.866 . . . . 0.6 116.348 -162.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.6 m95 . . . . . 0 N--CA 1.489 1.49 0 O-C-N 127.184 2.802 . . . . 0.6 116.343 -173.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER . . . . . 0 CA--C 1.599 2.853 0 CA-C-O 119.106 -0.473 . . . . 0.6 110.321 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 164.23 96.95 0.11 Allowed Glycine 0 CA--C 1.556 2.653 0 N-CA-C 103.234 -3.946 . . . . 0.6 103.234 -174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 77.01 -138.73 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.683 1.993 . . . . 0.6 107.86 -174.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . 0.464 ' HB ' HG22 ' C' ' 403' ' ' THR . 1.1 m -144.35 121.93 11.79 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 118.785 -2.447 . . . . 0.6 110.114 -129.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.82 54.42 Favored 'General case' 0 N--CA 1.433 -1.282 0 C-N-CA 126.503 1.921 . . . . 0.6 113.089 174.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.498 HG11 HD11 ' B' ' 326' ' ' LEU . 0.3 OUTLIER -125.73 156.04 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-O 123.258 1.504 . . . . 0.6 110.556 164.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 49.2 m -139.84 147.85 41.3 Favored 'General case' 0 C--O 1.255 1.37 0 CA-C-N 111.279 -2.691 . . . . 0.6 113.69 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -149.42 142.07 24.5 Favored 'General case' 0 N--CA 1.409 -2.513 1 O-C-N 129.983 4.552 . . . . 0.81 107.85 164.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -128.28 110.11 12.08 Favored 'General case' 0 CA--C 1.574 1.894 0 CA-C-O 123.462 1.601 . . . . 0.6 107.136 164.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . 0.267 45.2 m -129.08 135.37 48.81 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 116.837 -3.664 . . . . 0.6 108.471 -166.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -131.92 99.9 4.9 Favored 'General case' 0 C--N 1.373 1.627 0 CA-C-N 112.311 -2.222 . . . . 0.81 105.207 -175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.09 98.78 6.49 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 116.366 -1.778 . . . . 0.6 106.918 -165.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -128.35 68.64 1.36 Allowed 'General case' 0 C--O 1.272 2.289 0 N-CA-C 102.695 -3.076 . . . . 0.73 102.695 -173.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 96.3 m -107.81 108.4 19.57 Favored 'General case' 0 N--CA 1.418 -2.056 0 C-N-CA 128.049 2.539 . . . . 0.6 107.517 168.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.12 6.23 Favored 'General case' 0 C--O 1.304 3.924 0 C-N-CA 126.008 1.723 . . . . 0.6 108.941 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 136.14 57.34 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 125.632 2.634 . . . . 0.8 117.07 -168.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -61.11 64.84 0.01 OUTLIER Glycine 0 CA--C 1.482 -1.994 0 CA-C-N 109.186 -3.643 . . . . 0.6 111.974 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -158.09 -31.98 0.07 Allowed 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.149 3.474 . . . . 0.73 108.929 -167.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 6.1 m -51.83 136.36 28.17 Favored 'General case' 0 CA--C 1.584 2.252 0 C-N-CA 130.604 3.562 . . . . 0.6 107.897 -177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -117.72 122.75 44.33 Favored 'General case' 0 C--O 1.267 2.014 0 CA-C-N 118.891 0.769 . . . . 0.6 110.293 171.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -132.21 126.89 34.61 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 116.459 -3.901 . . . . 0.6 109.775 -174.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -128.5 109.92 11.83 Favored 'General case' 0 N--CA 1.406 -2.659 0 C-N-CA 125.24 1.416 . . . . 0.6 111.627 171.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -106.67 132.97 52.05 Favored 'General case' 0 C--N 1.368 1.401 0 CA-C-O 116.09 -1.91 . . . . 0.71 108.317 174.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -132.18 89.06 2.62 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 126.439 2.337 . . . . 0.71 112.413 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.624 HH22 ' HG2' ' A' ' 207' ' ' GLU . 0.6 OUTLIER -86.65 122.57 30.74 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 127.012 2.125 . . . . 0.81 111.028 172.449 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 3.7 m -127.25 121.54 31.48 Favored 'General case' 0 CA--C 1.558 1.276 0 O-C-N 128.51 3.631 . . . . 0.6 108.65 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.498 HD11 HG11 ' B' ' 305' ' ' VAL . 4.7 mp -115.5 117.0 29.13 Favored 'General case' 0 N--CA 1.408 -2.566 0 N-CA-C 116.875 2.176 . . . . 0.6 116.875 173.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -117.39 138.28 51.91 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 121.754 2.07 . . . . 0.81 116.021 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 60.0 p -138.55 101.89 4.47 Favored 'General case' 0 CA--C 1.479 -1.783 0 N-CA-C 105.028 -2.212 . . . . 0.6 105.028 157.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . 0.399 73.0 p -111.78 159.24 18.48 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.782 -0.574 . . . . 0.6 110.424 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.516 2.858 0 C-N-CA 126.624 1.97 . . . . 0.6 107.795 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 8.7 mtt . . . . . 0 N--CA 1.423 -1.813 0 CA-C-O 121.443 0.64 . . . . 0.6 111.389 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 50.48 61.81 5.65 Favored Glycine 0 N--CA 1.487 2.034 1 C-N-CA 130.979 4.133 . . . . 0.6 107.991 -169.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -166.16 152.05 8.85 Favored 'General case' 0 C--O 1.205 -1.261 0 CA-C-O 116.212 -1.852 . . . . 0.6 110.754 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . 0.464 HG22 ' HB ' ' B' ' 303' ' ' THR . 58.8 p -110.22 141.7 42.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 117.716 2.487 . . . . 0.6 117.716 168.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.96 119.57 6.08 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 124.092 0.957 . . . . 0.6 109.846 -172.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . 0.491 HG12 HG12 ' B' ' 305' ' ' VAL . 4.3 m -93.08 124.28 45.45 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 CA-C-O 123.622 1.677 . . . . 0.6 112.631 174.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 14.5 m -131.31 94.67 3.61 Favored 'General case' 0 C--N 1.37 1.466 1 O-C-N 115.682 -4.386 . . . . 0.6 105.528 -176.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -118.54 126.11 51.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-N 113.239 -1.8 . . . . 0.81 108.865 -172.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 12.3 m95 -115.98 117.81 31.18 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 106.477 -1.675 . . . . 0.6 106.477 175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.264 1.0 OUTLIER -118.11 122.69 43.75 Favored 'General case' 0 CA--C 1.492 -1.26 0 O-C-N 127.783 3.177 . . . . 0.6 107.289 178.2 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -125.8 106.94 10.05 Favored 'General case' 0 N--CA 1.517 2.886 0 CA-C-N 123.374 2.806 . . . . 0.81 107.799 164.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -131.42 130.76 42.95 Favored 'General case' 0 C--N 1.369 1.439 0 CA-C-N 108.735 -3.848 . . . . 0.6 103.056 -152.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -140.62 122.85 15.82 Favored 'General case' 0 N--CA 1.512 2.641 0 C-N-CA 123.881 0.872 . . . . 0.73 110.384 -171.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.0 m -124.65 147.56 48.47 Favored 'General case' 0 N--CA 1.428 -1.53 0 N-CA-C 101.416 -3.55 . . . . 0.6 101.416 -177.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -87.26 -69.86 0.66 Allowed 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 111.515 -2.584 . . . . 0.6 108.432 172.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -104.22 115.7 30.87 Favored 'General case' 0 N--CA 1.427 -1.622 0 O-C-N 128.513 3.633 . . . . 0.8 109.699 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -61.73 9.62 0.1 Allowed Glycine 0 C--N 1.355 1.612 0 N-CA-C 119.574 2.589 . . . . 0.6 119.574 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -49.31 -27.5 3.94 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 120.224 2.012 . . . . 0.73 111.09 169.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.265 1.3 m -45.54 133.92 7.41 Favored 'General case' 0 N--CA 1.502 2.126 1 C-N-CA 132.526 4.33 . . . . 0.6 107.401 176.117 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -89.31 134.45 34.05 Favored 'General case' 0 N--CA 1.529 3.495 0 N-CA-C 114.912 1.449 . . . . 0.6 114.912 168.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -143.72 120.14 10.97 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 127.498 2.319 . . . . 0.6 106.45 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -126.16 117.2 22.62 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 111.421 -2.627 . . . . 0.6 108.241 173.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -127.63 104.56 7.93 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-O 122.268 1.032 . . . . 0.71 111.063 164.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -99.77 128.66 45.85 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-O 114.646 -2.597 . . . . 0.71 111.007 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -127.96 115.22 18.2 Favored 'General case' 0 CA--C 1.597 2.784 1 O-C-N 130.078 4.611 . . . . 0.81 109.118 -172.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 88.8 m -122.66 132.04 54.08 Favored 'General case' 0 N--CA 1.432 -1.327 0 O-C-N 119.274 -2.141 . . . . 0.6 107.057 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . 0.329 0.0 OUTLIER -140.93 130.63 24.18 Favored 'General case' 0 C--O 1.255 1.388 0 CA-C-O 114.656 -2.592 . . . . 0.6 117.98 171.082 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . 0.254 5.3 pt-20 -132.87 136.62 46.32 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 116.931 2.197 . . . . 0.81 116.931 -174.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 64.3 m -112.5 102.14 10.26 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 123.563 1.649 . . . . 0.6 109.258 -172.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.65 121.29 17.36 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.219 2.208 . . . . 0.6 115.142 155.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 . . . . . 0 CA--C 1.548 0.87 0 O-C-N 125.85 1.969 . . . . 0.6 112.988 -173.238 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 C--O 1.256 1.424 0 N-CA-C 107.765 -1.198 . . . . 0.6 107.765 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -126.64 -176.23 14.41 Favored Glycine 0 C--N 1.383 3.162 0 C-N-CA 117.86 -2.114 . . . . 0.6 117.659 -171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.25 156.82 29.51 Favored 'General case' 0 C--O 1.221 -0.441 0 N-CA-C 114.4 1.259 . . . . 0.6 114.4 -172.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.97 141.87 38.38 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 120.031 3.345 . . . . 0.6 120.031 -178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -137.79 139.83 40.23 Favored 'General case' 1 N--CA 1.553 4.687 0 O-C-N 119.139 -2.226 . . . . 0.6 111.999 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.96 134.68 65.63 Favored 'Isoleucine or valine' 0 C--N 1.37 1.458 0 CA-C-O 125.138 2.399 . . . . 0.6 114.476 163.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 90.46 0.84 Allowed 'General case' 0 C--O 1.273 2.293 0 O-C-N 119.773 -1.83 . . . . 0.6 108.643 -157.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . 0.427 ' CD ' HH21 ' D' ' 524' ' ' ARG . 7.8 pt-20 -118.22 118.18 31.15 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-O 116.477 -1.725 . . . . 0.81 106.984 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . 0.286 1.2 m-90 -93.15 102.61 14.92 Favored 'General case' 0 CA--C 1.489 -1.399 0 N-CA-C 105.575 -2.009 . . . . 0.6 105.575 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -122.45 77.31 1.4 Allowed 'General case' 0 N--CA 1.505 2.311 1 C-N-CA 133.125 4.57 . . . . 0.6 106.907 -161.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -91.04 98.02 11.52 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 102.561 -3.126 . . . . 0.81 102.561 174.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -114.03 138.5 50.31 Favored 'General case' 0 CA--C 1.581 2.155 0 O-C-N 117.87 -3.019 . . . . 0.6 103.693 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.48 127.91 22.87 Favored 'General case' 0 N--CA 1.521 3.084 0 C-N-CA 127.41 2.284 . . . . 0.73 111.869 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.93 123.17 39.81 Favored 'General case' 0 C--O 1.19 -2.071 0 N-CA-C 104.752 -2.314 . . . . 0.6 104.752 -176.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -55.67 -61.34 2.42 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-O 117.331 -1.318 . . . . 0.6 113.954 164.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -109.47 112.97 25.39 Favored 'General case' 0 N--CA 1.516 2.871 0 O-C-N 126.164 2.165 . . . . 0.8 113.644 164.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -97.26 74.24 0.67 Allowed Glycine 0 CA--C 1.535 1.299 0 C-N-CA 120.288 -0.958 . . . . 0.6 113.458 -164.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -82.85 4.5 25.23 Favored 'General case' 0 C--O 1.278 2.587 0 C-N-CA 125.033 1.333 . . . . 0.73 114.117 169.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . 0.344 0.2 OUTLIER -21.14 105.8 0.02 OUTLIER 'General case' 0 CA--C 1.595 2.695 2 O-C-N 130.024 4.578 . . . . 0.6 115.834 -168.221 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -79.98 97.34 6.72 Favored 'General case' 0 CA--C 1.482 -1.635 1 CA-C-N 127.362 4.619 . . . . 0.6 109.07 162.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -128.11 130.6 48.4 Favored 'General case' 0 N--CA 1.428 -1.562 0 C-N-CA 126.678 1.991 . . . . 0.6 111.437 -173.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -122.71 125.27 45.21 Favored 'General case' 0 N--CA 1.426 -1.63 0 C-N-CA 130.499 3.52 . . . . 0.6 109.642 166.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.09 130.1 24.85 Favored 'General case' 0 N--CA 1.444 -0.726 0 O-C-N 125.821 1.951 . . . . 0.71 106.614 168.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -132.67 135.19 45.67 Favored 'General case' 0 N--CA 1.524 3.255 0 O-C-N 126.093 2.12 . . . . 0.71 110.694 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.482 ' H ' ' HD2' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -115.89 123.62 48.57 Favored 'General case' 0 N--CA 1.408 -2.543 0 O-C-N 124.468 1.105 . . . . 0.81 111.046 164.015 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 4.0 m -112.0 102.0 10.26 Favored 'General case' 0 C--O 1.266 1.941 0 CA-C-N 113.214 -1.812 . . . . 0.6 109.852 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -120.35 104.11 9.76 Favored 'General case' 0 N--CA 1.494 1.752 1 C-N-CA 132.977 4.511 . . . . 0.6 107.208 -155.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -131.31 129.96 42.14 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 119.178 3.029 . . . . 0.81 119.178 -173.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.91 -3.57 38.25 Favored 'General case' 0 N--CA 1.532 3.669 0 C-N-CA 130.799 3.64 . . . . 0.6 107.674 171.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.1 m 72.49 93.88 0.08 Allowed 'General case' 0 C--O 1.263 1.79 0 C-N-CA 130.923 3.689 . . . . 0.6 114.103 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 . . . . . 0 C--O 1.287 3.075 0 O-C-N 125.904 2.003 . . . . 0.6 109.624 -175.089 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . 0.336 11.2 tmm? . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 117.176 -1.392 . . . . 0.6 111.041 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 143.69 127.15 2.05 Favored Glycine 0 N--CA 1.479 1.53 0 C-N-CA 125.806 1.67 . . . . 0.6 110.87 -174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -151.12 126.06 9.78 Favored 'General case' 0 N--CA 1.395 -3.197 0 C-N-CA 128.252 2.621 . . . . 0.6 110.492 -166.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . 0.459 ' HB ' HD12 ' A' ' 226' ' ' LEU . 9.3 p -131.84 162.15 31.25 Favored 'General case' 0 C--N 1.401 2.839 0 CA-C-O 122.514 1.15 . . . . 0.6 110.545 174.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -147.25 119.72 8.47 Favored 'General case' 0 CA--C 1.598 2.8 0 O-C-N 120.007 -1.683 . . . . 0.6 113.731 172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 1.7 t -102.2 140.65 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 O-C-N 117.722 -3.111 . . . . 0.6 111.298 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' B' ' 306' ' ' SER . 12.8 p -131.13 157.78 42.22 Favored 'General case' 0 N--CA 1.511 2.583 0 CA-C-O 124.535 2.112 . . . . 0.6 108.463 166.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -154.88 167.15 31.25 Favored 'General case' 0 CA--C 1.588 2.409 0 O-C-N 118.489 -2.632 . . . . 0.81 112.483 144.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 -117.34 130.5 56.56 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 129.912 3.285 . . . . 0.6 110.714 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 25.9 m -122.69 114.69 20.91 Favored 'General case' 0 CA--C 1.583 2.221 0 O-C-N 119.07 -2.269 . . . . 0.6 109.205 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -122.55 84.75 2.31 Favored 'General case' 0 N--CA 1.501 2.12 0 C-N-CA 128.779 2.832 . . . . 0.81 107.218 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.7 106.56 14.64 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 102.643 -3.095 . . . . 0.6 102.643 -171.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -123.29 128.23 49.66 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 106.389 -1.708 . . . . 0.73 106.389 166.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 59.9 m -132.92 117.96 18.32 Favored 'General case' 0 C--O 1.259 1.586 0 CA-C-O 125.868 2.746 . . . . 0.6 108.025 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -55.92 -68.29 0.22 Allowed 'General case' 0 C--N 1.365 1.268 0 CA-C-N 112.323 -2.217 . . . . 0.6 112.672 172.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -101.65 116.03 31.84 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 126.059 2.099 . . . . 0.8 108.343 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -41.56 113.97 0.58 Allowed Glycine 0 N--CA 1.435 -1.378 0 CA-C-O 116.587 -2.23 . . . . 0.6 114.442 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -155.99 -40.12 0.08 Allowed 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 116.193 -1.861 . . . . 0.73 111.851 -175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.03 133.85 51.65 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 125.464 1.505 . . . . 0.6 110.86 -158.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -128.23 121.65 29.88 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 124.741 2.21 . . . . 0.6 106.663 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -136.17 102.73 5.09 Favored 'General case' 0 C--N 1.284 -2.24 0 O-C-N 117.406 -3.309 . . . . 0.6 112.957 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -92.52 133.28 36.09 Favored 'General case' 0 C--O 1.269 2.091 0 CA-C-O 114.368 -2.729 . . . . 0.6 106.523 168.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -142.66 104.48 4.38 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 126.679 2.487 . . . . 0.71 105.712 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -115.45 97.37 6.13 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 105.152 -2.166 . . . . 0.71 105.152 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 3.5 ttp85 -119.6 107.3 13.1 Favored 'General case' 0 C--O 1.276 2.463 0 N-CA-C 106.877 -1.527 . . . . 0.81 106.877 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 37.2 p -57.61 149.96 20.35 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.0 1.32 . . . . 0.6 112.973 154.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.459 HD12 ' HB ' ' A' ' 203' ' ' THR . 2.1 pt? -142.86 150.47 39.9 Favored 'General case' 0 C--O 1.281 2.711 0 O-C-N 120.91 -1.119 . . . . 0.6 108.973 142.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -134.23 60.95 1.69 Allowed 'General case' 0 N--CA 1.428 -1.562 0 O-C-N 126.809 2.568 . . . . 0.81 110.914 -139.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 69.1 m -65.7 -61.68 1.94 Allowed 'General case' 0 C--N 1.389 2.298 0 CA-C-N 121.018 1.736 . . . . 0.6 109.149 -162.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 6.0 p -96.21 -34.29 11.7 Favored 'General case' 0 C--O 1.264 1.862 0 CA-C-N 120.54 1.518 . . . . 0.6 111.363 -167.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 83.4 m95 . . . . . 0 N--CA 1.417 -2.104 0 C-N-CA 124.476 1.11 . . . . 0.6 109.654 176.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.61 3.272 0 N-CA-C 107.442 -1.318 . . . . 0.6 107.442 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . -177.37 94.37 0.1 OUTLIER Glycine 0 C--O 1.246 0.853 0 CA-C-O 115.854 -2.637 . . . . 0.6 109.581 -176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.43 -143.49 0.01 OUTLIER 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 130.393 3.477 . . . . 0.6 106.894 -176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.74 129.97 19.78 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 122.557 2.435 . . . . 0.6 111.465 -135.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -122.07 142.68 50.11 Favored 'General case' 0 N--CA 1.419 -1.98 0 O-C-N 126.206 2.191 . . . . 0.6 111.034 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . . . . . . . . 0.259 0.4 OUTLIER -134.17 141.13 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 125.072 1.349 . . . . 0.6 110.78 178.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' A' ' 206' ' ' SER . 32.5 m -132.21 132.88 43.55 Favored 'General case' 0 N--CA 1.42 -1.954 0 C-N-CA 129.121 2.968 . . . . 0.6 107.84 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -133.05 145.08 50.47 Favored 'General case' 0 C--O 1.254 1.306 0 C-N-CA 127.489 2.316 . . . . 0.81 110.965 155.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -129.38 102.9 6.62 Favored 'General case' 0 C--O 1.269 2.113 0 C-N-CA 126.041 1.736 . . . . 0.6 109.842 166.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.5 m -111.7 131.57 55.21 Favored 'General case' 0 CA--C 1.494 -1.182 0 C-N-CA 127.927 2.491 . . . . 0.6 110.498 -168.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -127.9 109.51 11.67 Favored 'General case' 0 C--O 1.19 -2.063 0 C-N-CA 127.842 2.457 . . . . 0.81 106.178 169.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.32 109.97 18.7 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 127.797 2.439 . . . . 0.6 112.17 175.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -131.82 48.08 2.46 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 127.283 2.233 . . . . 0.73 113.099 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . 0.434 HG21 ' OG1' ' B' ' 318' ' ' THR . 68.1 m -97.62 102.9 14.78 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 128.422 2.689 . . . . 0.6 105.251 171.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.56 37.34 Favored 'General case' 0 C--O 1.186 -2.27 0 C-N-CA 127.544 2.337 . . . . 0.6 108.125 -165.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.16 137.97 53.77 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 127.934 3.271 . . . . 0.8 112.104 -167.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -68.75 85.68 0.2 Allowed Glycine 0 C--O 1.214 -1.114 0 C-N-CA 128.764 3.078 . . . . 0.6 111.99 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.22 -25.73 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 125.581 1.401 . . . . 0.73 112.828 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . 0.434 ' OG1' HG21 ' B' ' 313' ' ' THR . 17.7 m -68.86 154.71 41.53 Favored 'General case' 0 C--O 1.191 -1.989 0 CA-C-O 117.555 -1.212 . . . . 0.6 110.22 -169.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -125.93 117.27 22.95 Favored 'General case' 0 C--N 1.38 1.901 0 C-N-CA 126.905 2.082 . . . . 0.6 106.74 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -117.66 135.53 53.94 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-O 118.136 -0.935 . . . . 0.6 113.049 171.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -139.4 106.19 5.39 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 116.315 -1.802 . . . . 0.6 107.228 -175.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -112.82 134.0 54.55 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 125.867 1.667 . . . . 0.71 107.413 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -136.45 108.23 7.06 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 126.566 2.416 . . . . 0.71 104.765 173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -114.61 126.06 54.48 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 123.796 0.838 . . . . 0.81 109.32 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 26.8 m -130.17 122.78 28.84 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.812 -0.631 . . . . 0.6 110.443 -174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.469 ' N ' HD12 ' B' ' 326' ' ' LEU . 0.6 OUTLIER -119.26 122.79 42.7 Favored 'General case' 0 CA--C 1.582 2.19 0 N-CA-C 102.922 -2.992 . . . . 0.6 102.922 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.81 126.79 53.08 Favored 'General case' 0 N--CA 1.414 -2.274 0 O-C-N 125.614 1.821 . . . . 0.81 108.082 176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 15.4 p -124.54 127.78 47.94 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 105.089 -2.189 . . . . 0.6 105.089 134.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 22.8 p -129.64 158.9 38.06 Favored 'General case' 0 C--N 1.371 1.543 0 C-N-CA 125.393 1.477 . . . . 0.6 110.098 -176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 C--O 1.314 4.474 0 N-CA-C 114.483 1.29 . . . . 0.6 114.483 169.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 22.3 ttm . . . . . 0 N--CA 1.432 -1.334 0 CA-C-O 123.171 1.462 . . . . 0.6 109.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 94.43 41.86 4.1 Favored Glycine 1 CA--C 1.594 5.026 0 N-CA-C 109.928 -1.269 . . . . 0.6 109.928 171.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -159.93 154.47 24.0 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 126.763 2.025 . . . . 0.6 114.929 -170.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . . . . . . . . 0.282 59.2 p -121.56 146.48 46.91 Favored 'General case' 0 N--CA 1.535 3.816 0 CA-C-O 126.659 3.123 . . . . 0.6 109.802 162.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -151.01 143.77 24.46 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 112.671 -2.058 . . . . 0.6 111.908 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . 0.498 HG13 ' HG ' ' C' ' 426' ' ' LEU . 4.4 m -106.47 111.71 36.51 Favored 'Isoleucine or valine' 0 C--O 1.279 2.624 0 O-C-N 127.547 3.029 . . . . 0.6 113.271 175.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 5.3 m -101.14 96.68 7.37 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 128.718 2.807 . . . . 0.6 112.685 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -120.88 125.34 47.23 Favored 'General case' 0 C--O 1.182 -2.493 0 C-N-CA 128.302 2.641 . . . . 0.81 112.556 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -112.59 98.82 7.49 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 125.885 1.674 . . . . 0.6 108.271 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . 0.258 1.6 m -106.07 108.05 19.36 Favored 'General case' 0 CA--C 1.449 -2.913 0 CA-C-N 119.574 1.079 . . . . 0.6 113.383 177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.85 134.1 55.35 Favored 'General case' 0 CA--C 1.601 2.928 0 O-C-N 118.876 -2.39 . . . . 0.81 108.928 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -152.5 140.21 19.9 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 111.67 -2.514 . . . . 0.6 111.169 -155.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 67.7 tttt -149.81 138.71 21.02 Favored 'General case' 0 CA--C 1.485 -1.537 0 O-C-N 118.803 -2.436 . . . . 0.73 109.558 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 2.6 m -144.96 129.95 18.38 Favored 'General case' 0 CA--C 1.573 1.861 1 C-N-CA 131.831 4.052 . . . . 0.6 108.888 -177.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -78.14 -72.02 0.39 Allowed 'General case' 0 C--O 1.273 2.298 0 C-N-CA 118.366 -1.333 . . . . 0.6 108.99 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.63 109.13 19.44 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 106.946 -1.501 . . . . 0.8 106.946 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -47.16 -18.41 0.47 Allowed Glycine 0 C--O 1.202 -1.895 0 C-N-CA 128.199 2.809 . . . . 0.6 117.48 -167.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 17.8 tptp -59.87 -9.2 2.7 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 127.242 2.217 . . . . 0.73 113.546 -164.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 1.1 m -52.49 153.17 3.15 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 122.343 2.338 . . . . 0.6 115.498 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -96.01 130.08 43.1 Favored 'General case' 0 CA--C 1.564 1.5 0 O-C-N 117.474 -3.266 . . . . 0.6 116.782 172.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -134.35 120.81 20.34 Favored 'General case' 0 C--O 1.263 1.798 0 O-C-N 120.272 -1.518 . . . . 0.6 114.514 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -126.01 117.03 22.38 Favored 'General case' 0 CA--C 1.575 1.935 0 O-C-N 128.766 3.791 . . . . 0.6 113.871 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -119.55 117.54 28.64 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.036 1.334 . . . . 0.71 112.204 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.34 123.42 48.66 Favored 'General case' 0 C--O 1.272 2.265 0 O-C-N 118.958 -2.338 . . . . 0.71 111.878 170.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . 0.585 HH22 ' CD ' ' D' ' 507' ' ' GLU . 14.8 mtm105 -124.54 136.92 54.38 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 122.246 1.022 . . . . 0.81 108.986 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 5.7 m -139.31 116.74 11.29 Favored 'General case' 0 C--N 1.28 -2.423 0 CA-C-O 115.617 -2.135 . . . . 0.6 106.167 -177.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . 0.498 ' HG ' HG13 ' C' ' 405' ' ' VAL . 0.0 OUTLIER -135.13 138.15 43.46 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 126.029 2.081 . . . . 0.6 108.279 169.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -135.65 122.01 20.5 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 128.84 2.856 . . . . 0.81 113.824 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 23.8 m -94.43 93.19 7.52 Favored 'General case' 0 C--O 1.253 1.281 0 C-N-CA 130.2 3.4 . . . . 0.6 113.222 -169.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 92.68 2.58 Favored 'General case' 0 C--O 1.193 -1.918 0 N-CA-C 115.397 1.629 . . . . 0.6 115.397 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 . . . . . 0 C--O 1.214 -0.791 0 CA-C-O 127.941 3.734 . . . . 0.6 115.938 -174.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.373 0 CA-C-O 116.216 -1.85 . . . . 0.6 111.957 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -142.79 179.19 20.63 Favored Glycine 0 C--O 1.26 1.744 0 CA-C-O 125.615 2.786 . . . . 0.6 115.389 -167.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -77.77 160.38 28.42 Favored 'General case' 0 N--CA 1.51 2.575 1 O-C-N 116.082 -4.187 . . . . 0.6 109.262 178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -145.55 135.24 23.39 Favored 'General case' 0 CA--C 1.59 2.515 0 O-C-N 119.726 -1.858 . . . . 0.6 110.775 -170.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -141.02 120.2 12.92 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 127.056 2.143 . . . . 0.6 114.26 178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 6.1 p -106.06 144.83 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 125.74 1.9 . . . . 0.6 112.873 165.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.46 100.78 0.93 Allowed 'General case' 0 N--CA 1.388 -3.557 0 C-N-CA 115.908 -2.317 . . . . 0.6 111.2 -162.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . 0.585 ' CD ' HH22 ' C' ' 424' ' ' ARG . 13.7 pt-20 -133.3 109.53 9.44 Favored 'General case' 0 C--N 1.27 -2.877 0 N-CA-C 105.153 -2.166 . . . . 0.81 105.153 -153.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -87.74 105.31 17.29 Favored 'General case' 0 CA--C 1.565 1.538 0 O-C-N 118.983 -2.323 . . . . 0.6 107.281 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . 0.251 12.3 p -128.69 77.68 1.8 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 123.902 3.046 . . . . 0.6 109.834 -158.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -100.87 105.59 16.88 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 126.289 2.243 . . . . 0.81 108.588 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -132.77 134.93 45.35 Favored 'General case' 0 N--CA 1.415 -2.188 0 CA-C-O 115.571 -2.157 . . . . 0.6 111.919 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -136.97 132.02 33.78 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 126.674 2.484 . . . . 0.73 110.922 -169.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.35 122.64 44.43 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-O 116.207 -1.854 . . . . 0.6 108.368 -172.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -62.82 -46.42 88.04 Favored 'General case' 1 N--CA 1.556 4.845 0 C-N-CA 116.965 -1.894 . . . . 0.6 110.237 -179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -129.94 108.85 10.43 Favored 'General case' 0 C--O 1.201 -1.463 0 O-C-N 126.946 2.654 . . . . 0.8 106.591 170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -85.1 68.81 3.41 Favored Glycine 0 C--O 1.26 1.739 0 O-C-N 127.875 3.234 . . . . 0.6 111.279 -161.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -88.99 30.19 0.97 Allowed 'General case' 0 C--N 1.373 1.615 0 C-N-CA 127.066 2.146 . . . . 0.73 110.318 165.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -49.51 144.36 5.86 Favored 'General case' 0 N--CA 1.406 -2.636 0 C-N-CA 131.098 3.759 . . . . 0.6 112.606 -173.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -112.69 115.42 28.54 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 119.237 -2.164 . . . . 0.6 111.29 158.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -133.95 137.08 44.62 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.662 -1.607 . . . . 0.6 106.662 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -135.08 149.77 50.14 Favored 'General case' 0 N--CA 1.424 -1.772 0 C-N-CA 125.421 1.488 . . . . 0.6 110.149 156.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -160.28 121.22 3.02 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 129.31 3.044 . . . . 0.71 106.182 -171.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -130.47 131.61 45.24 Favored 'General case' 0 CA--C 1.583 2.235 0 C-N-CA 125.083 1.353 . . . . 0.71 108.237 176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.478 HH21 ' CD ' ' D' ' 507' ' ' GLU 0.266 0.0 OUTLIER -108.32 120.2 41.71 Favored 'General case' 0 N--CA 1.425 -1.69 0 C-N-CA 124.815 1.246 . . . . 0.81 107.744 158.026 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 2.7 m -101.52 117.89 35.85 Favored 'General case' 0 CA--C 1.57 1.744 0 N-CA-C 103.205 -2.887 . . . . 0.6 103.205 155.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.3 101.95 5.57 Favored 'General case' 0 C--O 1.259 1.593 0 CA-C-N 118.771 0.714 . . . . 0.6 111.117 -168.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -116.81 131.48 56.94 Favored 'General case' 0 CA--C 1.597 2.764 0 C-N-CA 127.194 2.198 . . . . 0.81 112.979 -170.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . 0.268 0.2 OUTLIER -86.46 10.17 16.0 Favored 'General case' 0 N--CA 1.5 2.066 0 C-N-CA 126.0 1.72 . . . . 0.6 108.832 161.391 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 1.9 m 62.14 121.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 129.637 3.175 . . . . 0.6 108.785 -168.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . 0.25 58.1 p-90 . . . . . 0 C--O 1.261 1.694 0 N-CA-C 118.077 2.621 . . . . 0.6 118.077 -156.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 10.6 tmm? . . . . . 0 C--O 1.267 1.996 0 N-CA-C 107.635 -1.246 . . . . 0.6 107.635 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 149.5 140.06 3.2 Favored Glycine 0 CA--C 1.535 1.324 0 N-CA-C 103.616 -3.794 . . . . 0.6 103.616 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . . . . . . . . . . . -149.85 148.36 29.06 Favored 'General case' 0 N--CA 1.38 -3.967 0 CA-C-O 116.723 -1.608 . . . . 0.6 112.113 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 17.5 p -147.19 151.54 36.89 Favored 'General case' 0 C--O 1.26 1.626 0 CA-C-N 119.807 1.185 . . . . 0.6 108.871 171.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -132.73 132.6 42.49 Favored 'General case' 0 CA--C 1.589 2.477 0 C-N-CA 124.206 1.002 . . . . 0.6 112.731 170.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . . . . . . . . . 2.2 t -112.83 140.68 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.987 0 CA-C-O 116.42 -1.752 . . . . 0.6 111.425 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.1 p -133.0 163.67 28.71 Favored 'General case' 0 CA--C 1.548 0.872 0 O-C-N 127.021 2.701 . . . . 0.6 105.338 165.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -153.15 162.44 41.31 Favored 'General case' 0 C--N 1.392 2.44 0 CA-C-O 124.193 1.949 . . . . 0.81 112.365 141.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -122.84 130.16 52.54 Favored 'General case' 0 C--O 1.276 2.476 0 N-CA-C 103.354 -2.832 . . . . 0.6 103.354 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . 0.432 ' HB ' HG23 ' B' ' 309' ' ' THR . 84.3 m -132.52 128.31 37.03 Favored 'General case' 0 N--CA 1.442 -0.847 0 O-C-N 125.345 1.653 . . . . 0.6 111.285 -172.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -140.72 91.96 2.47 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 105.532 -2.025 . . . . 0.81 105.532 -169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -126.95 116.74 21.25 Favored 'General case' 0 N--CA 1.38 -3.944 0 C-N-CA 126.362 1.865 . . . . 0.6 115.75 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -139.04 123.99 18.81 Favored 'General case' 0 CA--C 1.587 2.379 0 N-CA-C 103.599 -2.741 . . . . 0.73 103.599 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 8.7 m -124.74 114.85 19.82 Favored 'General case' 0 C--O 1.261 1.676 0 N-CA-C 102.964 -2.976 . . . . 0.6 102.964 -168.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -71.89 -64.92 0.84 Allowed 'General case' 0 C--N 1.386 2.179 0 N-CA-C 107.568 -1.271 . . . . 0.6 107.568 -168.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -80.6 107.45 13.42 Favored 'General case' 0 C--N 1.383 2.064 0 O-C-N 118.993 -2.317 . . . . 0.8 106.001 163.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -49.49 134.24 25.08 Favored Glycine 0 CA--C 1.569 3.411 0 C-N-CA 127.231 2.348 . . . . 0.6 108.468 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -160.83 -27.92 0.06 Allowed 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 113.676 0.991 . . . . 0.73 113.676 -162.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 32.2 p -77.85 160.37 28.35 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 119.829 1.195 . . . . 0.6 113.663 -164.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -135.12 128.38 32.04 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 131.05 3.74 . . . . 0.6 102.099 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -143.38 96.42 2.91 Favored 'General case' 0 C--O 1.256 1.421 0 CA-C-N 122.088 2.222 . . . . 0.6 108.777 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -82.23 130.01 34.99 Favored 'General case' 0 CA--C 1.574 1.871 0 N-CA-C 101.617 -3.475 . . . . 0.6 101.617 165.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -143.81 100.13 3.53 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 126.807 2.567 . . . . 0.71 107.582 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -115.38 106.77 14.38 Favored 'General case' 0 CA--C 1.581 2.142 0 O-C-N 128.396 3.56 . . . . 0.71 109.596 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -129.47 115.54 17.64 Favored 'General case' 0 N--CA 1.507 2.411 0 C-N-CA 126.647 1.979 . . . . 0.81 107.927 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 34.4 p -66.76 174.86 2.67 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 126.271 2.232 . . . . 0.6 110.727 149.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -150.42 157.4 42.99 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 112.135 -2.302 . . . . 0.6 111.233 138.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -139.15 89.6 2.36 Favored 'General case' 0 N--CA 1.397 -3.094 0 O-C-N 126.267 2.229 . . . . 0.81 109.706 -147.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 50.6 m -80.72 -41.48 23.53 Favored 'General case' 0 N--CA 1.522 3.156 0 N-CA-C 114.868 1.432 . . . . 0.6 114.868 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 81.3 p -114.8 -57.97 2.2 Favored 'General case' 0 N--CA 1.395 -3.186 0 CA-C-O 122.22 1.01 . . . . 0.6 108.61 -156.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 57.8 m95 . . . . . 0 C--O 1.256 1.411 0 CA-C-O 117.062 -1.446 . . . . 0.6 113.876 -175.805 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 N--CA 1.402 -2.828 0 N-CA-C 106.44 -1.689 . . . . 0.6 106.44 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . . . . . . . . . . . 165.62 118.48 0.44 Allowed Glycine 0 CA--C 1.55 2.228 0 N-CA-C 105.164 -3.174 . . . . 0.6 105.164 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 65.34 -148.82 0.24 Allowed 'General case' 0 C--O 1.274 2.378 0 CA-C-O 116.907 -1.521 . . . . 0.6 107.599 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 2.2 m -140.83 133.96 29.44 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 121.462 1.937 . . . . 0.6 115.238 -136.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . 0.272 . . -133.53 133.84 42.66 Favored 'General case' 0 N--CA 1.412 -2.369 0 C-N-CA 129.052 2.941 . . . . 0.6 111.593 -172.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' C' ' 405' ' ' VAL . 0.9 OUTLIER -123.7 154.77 30.21 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.483 0 O-C-N 125.182 1.551 . . . . 0.6 107.997 179.044 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 68.0 m -141.92 153.46 44.39 Favored 'General case' 0 C--O 1.252 1.212 0 O-C-N 124.496 1.123 . . . . 0.6 109.091 167.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -147.45 135.9 21.73 Favored 'General case' 0 C--N 1.279 -2.466 0 C-N-CA 129.743 3.217 . . . . 0.81 107.134 164.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -131.02 93.89 3.48 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 126.502 2.376 . . . . 0.6 107.395 -177.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . 0.432 HG23 ' HB ' ' A' ' 209' ' ' THR . 2.8 m -124.83 132.38 53.34 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 126.752 2.532 . . . . 0.6 107.603 -153.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -131.4 100.01 5.02 Favored 'General case' 0 C--O 1.206 -1.208 0 C-N-CA 128.5 2.72 . . . . 0.81 116.298 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.51 86.37 2.24 Favored 'General case' 0 C--O 1.269 2.121 0 CA-C-O 126.112 2.863 . . . . 0.6 109.738 -151.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -123.86 70.13 1.07 Allowed 'General case' 1 N--CA 1.542 4.129 0 CA-C-N 113.082 -1.872 . . . . 0.73 108.59 -156.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 57.4 m -100.12 109.39 21.67 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 118.629 -2.545 . . . . 0.6 107.265 165.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.97 71.88 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 114.923 -1.035 . . . . 0.6 108.219 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.87 135.04 52.27 Favored 'General case' 0 N--CA 1.512 2.656 0 O-C-N 118.311 -2.743 . . . . 0.8 114.002 176.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -83.74 89.99 1.57 Allowed Glycine 0 CA--C 1.564 3.153 0 N-CA-C 104.358 -3.497 . . . . 0.6 104.358 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -157.32 -31.74 0.08 Allowed 'General case' 0 CA--C 1.569 1.694 0 O-C-N 128.16 2.917 . . . . 0.73 111.768 177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 2.7 m -40.1 136.04 1.25 Allowed 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 124.441 1.088 . . . . 0.6 111.896 164.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -109.02 133.4 53.04 Favored 'General case' 0 CA--C 1.557 1.247 0 N-CA-C 104.709 -2.33 . . . . 0.6 104.709 159.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' C' ' 420' ' ' TYR . 33.3 t80 -139.2 130.95 27.47 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 118.841 -2.412 . . . . 0.6 105.725 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -135.32 121.46 20.13 Favored 'General case' 0 N--CA 1.42 -1.95 0 N-CA-C 105.618 -1.993 . . . . 0.6 105.618 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -115.93 137.89 51.69 Favored 'General case' 0 N--CA 1.39 -3.46 0 CA-C-N 122.343 2.338 . . . . 0.71 110.648 171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -139.42 105.39 5.19 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 119.318 -2.114 . . . . 0.71 111.863 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . 0.473 ' HE ' HG21 ' B' ' 305' ' ' VAL 0.267 9.5 tpt180 -116.42 130.48 56.78 Favored 'General case' 0 C--O 1.186 -2.274 0 C-N-CA 125.531 1.532 . . . . 0.81 109.933 -164.549 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . . . . . . . . . 5.4 m -135.75 134.39 38.99 Favored 'General case' 0 N--CA 1.537 3.895 0 C-N-CA 126.302 1.841 . . . . 0.6 114.356 -178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.39 98.28 4.65 Favored 'General case' 0 N--CA 1.427 -1.607 0 CA-C-O 115.183 -2.341 . . . . 0.6 104.981 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -91.47 131.32 37.01 Favored 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 120.697 1.59 . . . . 0.81 107.568 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 85.4 p -129.28 124.99 35.81 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 115.974 -1.965 . . . . 0.6 107.545 141.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 18.6 p -126.18 158.42 35.63 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 128.192 3.853 . . . . 0.6 113.403 -168.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 . . . . . 0 CA--C 1.562 1.424 0 O-C-N 119.23 -2.169 . . . . 0.6 110.281 178.462 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 10.1 ttm . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 122.974 1.369 . . . . 0.6 110.701 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 61.95 48.61 82.39 Favored Glycine 0 C--N 1.357 1.737 0 CA-C-O 126.319 3.177 . . . . 0.6 115.198 175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -154.68 157.86 38.76 Favored 'General case' 0 CA--C 1.592 2.561 0 CA-C-N 110.48 -2.86 . . . . 0.6 105.873 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 19.1 p -135.78 141.67 44.82 Favored 'General case' 0 CA--C 1.485 -1.54 0 O-C-N 120.016 -1.678 . . . . 0.6 110.156 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -154.7 134.55 12.92 Favored 'General case' 0 C--N 1.387 2.212 0 O-C-N 126.515 2.384 . . . . 0.6 111.821 -172.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . 0.553 ' HA ' HG12 ' B' ' 305' ' ' VAL . 2.5 m -102.28 107.1 21.04 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 N-CA-C 104.401 -2.444 . . . . 0.6 104.401 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . 0.263 15.6 m -97.3 87.31 4.12 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.095 -2.187 . . . . 0.6 105.095 175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -106.59 138.96 41.81 Favored 'General case' 1 N--CA 1.555 4.776 1 CA-C-O 128.641 4.067 . . . . 0.81 100.801 -177.047 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -120.3 130.2 54.35 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-N 110.322 -3.127 . . . . 0.6 109.402 164.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 38.6 m -148.53 120.96 8.47 Favored 'General case' 0 CA--C 1.595 2.676 0 N-CA-C 105.599 -2.0 . . . . 0.6 105.599 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -116.83 112.08 20.61 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.832 -3.396 . . . . 0.81 101.832 170.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -123.77 132.2 53.75 Favored 'General case' 0 C--O 1.201 -1.473 1 N-CA-C 95.612 -5.699 . . . . 0.6 95.612 -160.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -131.68 123.1 27.08 Favored 'General case' 0 CA--C 1.467 -2.237 0 N-CA-C 106.255 -1.757 . . . . 0.73 106.255 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' D' ' 513' ' ' THR . 39.1 m -128.65 139.38 52.28 Favored 'General case' 0 C--O 1.207 -1.155 0 CA-C-N 112.058 -2.337 . . . . 0.6 111.188 178.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -86.8 -50.32 6.82 Favored 'General case' 0 C--O 1.207 -1.143 0 O-C-N 120.333 -1.479 . . . . 0.6 110.044 169.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -111.55 135.16 52.51 Favored 'General case' 0 N--CA 1.501 2.125 0 CA-C-N 118.852 0.751 . . . . 0.8 111.588 -175.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -39.06 -42.88 1.7 Allowed Glycine 0 CA--C 1.56 2.846 0 C-N-CA 129.522 3.439 . . . . 0.6 114.575 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -57.58 -18.44 19.68 Favored 'General case' 0 N--CA 1.512 2.67 0 C-N-CA 130.108 3.363 . . . . 0.73 111.495 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 143.61 57.65 Favored 'General case' 0 CA--C 1.579 2.058 0 CA-C-N 122.244 2.293 . . . . 0.6 115.614 161.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -120.53 111.02 17.16 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 118.106 -2.871 . . . . 0.6 107.524 -156.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . 0.424 ' CE1' ' CE1' ' B' ' 320' ' ' TYR . 80.7 t80 -117.51 143.93 45.58 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 120.526 1.512 . . . . 0.6 111.228 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -145.22 138.9 26.81 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 106.512 -1.662 . . . . 0.6 106.512 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -150.88 119.07 6.31 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.289 -1.323 . . . . 0.71 107.71 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -130.64 97.03 4.25 Favored 'General case' 0 N--CA 1.424 -1.774 0 O-C-N 126.076 2.11 . . . . 0.71 106.885 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . 0.442 HH22 ' CD ' ' D' ' 507' ' ' GLU . 12.8 mtm180 -102.64 150.33 23.54 Favored 'General case' 0 CA--C 1.51 -0.594 0 O-C-N 118.795 -2.44 . . . . 0.81 108.469 -175.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 16.3 m -144.77 130.29 18.9 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 112.575 -3.583 . . . . 0.6 110.447 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . 0.538 ' N ' HD13 ' C' ' 426' ' ' LEU . 0.0 OUTLIER -140.66 137.02 33.26 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 126.908 2.63 . . . . 0.6 107.869 169.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -141.96 108.35 5.29 Favored 'General case' 0 CA--C 1.599 2.834 0 N-CA-C 107.738 -1.208 . . . . 0.81 107.738 -165.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . 0.26 4.0 m -85.65 100.1 11.74 Favored 'General case' 0 C--O 1.289 3.163 0 N-CA-C 113.882 1.067 . . . . 0.6 113.882 -174.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.12 121.04 12.0 Favored 'General case' 0 CA--C 1.581 2.15 0 C-N-CA 127.135 2.174 . . . . 0.6 113.579 168.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 23.9 p-90 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 126.689 2.493 . . . . 0.6 110.285 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 C--O 1.262 1.718 0 CA-C-O 115.326 -2.273 . . . . 0.6 108.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -134.66 160.37 24.21 Favored Glycine 0 C--N 1.365 2.146 0 O-C-N 127.566 3.041 . . . . 0.6 111.334 -145.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -73.58 156.84 37.66 Favored 'General case' 0 CA--C 1.613 3.369 0 O-C-N 118.078 -3.013 . . . . 0.6 108.243 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 4.9 t -143.86 129.99 19.66 Favored 'General case' 0 C--O 1.256 1.439 0 N-CA-C 115.812 1.782 . . . . 0.6 115.812 -171.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -132.72 115.56 15.5 Favored 'General case' 0 N--CA 1.502 2.149 0 CA-C-N 119.381 0.991 . . . . 0.6 110.037 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 3.3 p -85.82 144.07 10.25 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 O-C-N 119.341 -2.099 . . . . 0.6 107.84 163.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.97 96.05 1.81 Allowed 'General case' 0 N--CA 1.419 -1.975 0 CA-C-O 116.015 -1.945 . . . . 0.6 111.129 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . 0.442 ' CD ' HH22 ' C' ' 424' ' ' ARG . 11.0 pt-20 -118.76 124.79 48.12 Favored 'General case' 0 C--O 1.289 3.17 0 O-C-N 128.223 3.452 . . . . 0.81 109.249 -171.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -96.99 82.46 3.22 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 103.462 -2.792 . . . . 0.6 103.462 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 11.6 p -92.57 129.68 38.44 Favored 'General case' 0 C--O 1.274 2.367 0 O-C-N 118.802 -2.436 . . . . 0.6 106.053 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -137.14 80.41 1.81 Allowed 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 110.272 -3.149 . . . . 0.81 107.155 156.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -86.96 133.15 33.62 Favored 'General case' 0 CA--C 1.455 -2.674 0 C-N-CA 125.103 1.361 . . . . 0.6 112.015 163.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -142.79 105.24 4.46 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 117.739 -3.101 . . . . 0.73 108.204 -167.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' C' ' 413' ' ' THR . 0.0 OUTLIER -93.89 130.33 40.0 Favored 'General case' 0 C--N 1.377 1.804 0 N-CA-C 104.739 -2.319 . . . . 0.6 104.739 170.483 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.4 16.98 Favored 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 118.478 -1.289 . . . . 0.6 107.665 167.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -97.73 101.08 12.49 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 120.576 1.534 . . . . 0.8 109.594 175.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -72.84 60.87 1.69 Allowed Glycine 0 C--O 1.274 2.623 0 CA-C-N 115.521 -0.763 . . . . 0.6 114.919 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -88.6 15.61 7.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 131.446 3.898 . . . . 0.73 109.569 158.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 8.7 m -36.18 136.05 0.32 Allowed 'General case' 0 N--CA 1.414 -2.248 0 C-N-CA 128.779 2.832 . . . . 0.6 116.447 -170.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.6 112.26 25.1 Favored 'General case' 0 N--CA 1.397 -3.105 0 CA-C-O 113.994 -2.908 . . . . 0.6 110.938 153.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -154.44 129.43 9.51 Favored 'General case' 0 N--CA 1.504 2.275 0 C-N-CA 127.346 2.258 . . . . 0.6 108.869 -172.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -130.34 132.22 45.73 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 128.28 2.632 . . . . 0.6 106.023 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -144.96 144.39 31.03 Favored 'General case' 0 CA--C 1.569 1.711 0 C-N-CA 129.967 3.307 . . . . 0.71 112.077 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -160.13 119.84 2.85 Favored 'General case' 0 C--O 1.266 1.944 0 O-C-N 126.527 2.392 . . . . 0.71 113.632 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . 0.408 ' HD2' ' H ' ' D' ' 524' ' ' ARG . 0.0 OUTLIER -93.85 121.2 35.06 Favored 'General case' 0 N--CA 1.416 -2.14 0 CA-C-O 123.367 1.556 . . . . 0.81 107.838 163.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 5.2 m -100.6 112.84 25.28 Favored 'General case' 0 C--O 1.179 -2.626 0 N-CA-C 101.643 -3.465 . . . . 0.6 101.643 158.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . 0.256 1.5 tm? -121.23 108.89 14.29 Favored 'General case' 0 C--O 1.265 1.903 0 O-C-N 126.445 2.34 . . . . 0.6 106.068 -167.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -126.77 138.04 53.31 Favored 'General case' 0 C--N 1.366 1.321 0 O-C-N 119.611 -1.931 . . . . 0.81 114.064 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.34 11.08 31.71 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-N 112.426 -2.17 . . . . 0.6 110.915 171.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 17.7 m 44.65 96.44 0.01 OUTLIER 'General case' 0 CA--C 1.587 2.389 0 O-C-N 126.555 2.409 . . . . 0.6 111.04 -156.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 66.4 p-90 . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.0 1.381 . . . . 0.6 114.072 173.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 CA--C 1.567 1.597 0 CA-C-O 126.563 3.078 . . . . 0.6 104.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' GLY . . . . . . . . . . . . . . . 163.82 140.45 2.88 Favored Glycine 0 CA--C 1.557 2.662 1 O-C-N 116.014 -4.179 . . . . 0.6 103.67 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ALA . . . . . 0.416 ' HB2' ' H ' ' B' ' 301' ' ' GLY . . . -158.58 149.83 20.72 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.978 2.511 . . . . 0.6 108.713 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' THR . . . . . . . . . . . . . 35.6 p -153.72 165.12 36.97 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 125.178 2.418 . . . . 0.6 106.941 175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -146.62 141.94 27.42 Favored 'General case' 0 N--CA 1.427 -1.594 0 O-C-N 116.492 -3.88 . . . . 0.6 109.757 173.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' VAL . . . . . 0.415 ' HB ' HG23 ' B' ' 305' ' ' VAL . 3.5 t -120.55 135.31 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.585 2.307 0 CA-C-O 126.667 3.127 . . . . 0.6 109.685 172.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 62.3 p -129.59 157.67 41.43 Favored 'General case' 0 CA--C 1.578 2.028 0 CA-C-N 113.135 -1.848 . . . . 0.6 108.584 165.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -157.22 160.3 38.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 113.84 1.052 . . . . 0.81 113.84 142.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -98.83 137.9 36.74 Favored 'General case' 0 C--O 1.199 -1.568 0 C-N-CA 125.758 1.623 . . . . 0.6 113.099 162.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' THR . . . . . . . . . . . . . 21.2 m -130.17 130.16 44.36 Favored 'General case' 0 CA--C 1.57 1.734 0 C-N-CA 128.04 2.536 . . . . 0.6 108.443 -173.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -150.14 83.22 1.38 Allowed 'General case' 0 N--CA 1.416 -2.159 0 C-N-CA 129.757 3.223 . . . . 0.81 106.825 -165.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' TYR . . . . . 0.406 ' HB2' ' CD1' ' B' ' 311' ' ' TYR . 11.5 m-85 -119.02 108.73 15.09 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.272 2.229 . . . . 0.6 110.256 -176.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -128.49 112.55 14.47 Favored 'General case' 0 C--O 1.271 2.211 0 C-N-CA 129.152 2.981 . . . . 0.73 108.417 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' THR . . . . . . . . . . . . . 3.3 m -117.19 125.81 51.78 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 124.125 0.97 . . . . 0.6 112.195 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' ALA . . . . . . . . . . . . . . . -78.5 -60.2 2.47 Favored 'General case' 0 C--N 1.309 -1.185 0 N-CA-C 112.402 0.519 . . . . 0.6 112.402 -170.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -88.34 133.04 34.18 Favored 'General case' 0 CA--C 1.601 2.929 0 N-CA-C 104.169 -2.53 . . . . 0.8 104.169 169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' GLY . . . . . . . . . . . . . . . -58.6 122.89 31.54 Favored Glycine 0 C--O 1.264 2.007 0 O-C-N 124.316 1.01 . . . . 0.6 112.83 -178.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -163.34 -33.11 0.04 OUTLIER 'General case' 0 C--O 1.242 0.679 0 O-C-N 119.316 -2.285 . . . . 0.73 115.83 -163.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' THR . . . . . . . . . . . . . 2.5 p -70.36 148.15 48.76 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 125.725 2.679 . . . . 0.6 106.485 -164.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 221' ' ' TYR . 2.8 t80 -125.37 134.13 52.28 Favored 'General case' 0 C--N 1.259 -3.332 0 N-CA-C 102.851 -3.018 . . . . 0.6 102.851 152.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -137.93 107.72 6.27 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-O 128.072 3.796 . . . . 0.6 114.676 168.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.407 ' HB2' ' CE1' ' A' ' 219' ' ' PHE . 57.0 t80 -97.47 114.43 26.29 Favored 'General case' 0 CA--C 1.556 1.208 0 O-C-N 116.756 -3.715 . . . . 0.6 106.607 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -131.8 95.06 3.62 Favored 'General case' 0 C--O 1.249 1.058 0 O-C-N 117.756 -3.09 . . . . 0.71 110.354 -175.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -112.79 111.56 22.43 Favored 'General case' 0 C--N 1.402 2.851 0 C-N-CA 126.614 1.966 . . . . 0.71 115.982 -178.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -142.74 124.58 15.12 Favored 'General case' 0 C--O 1.249 1.038 0 CA-C-O 124.319 2.009 . . . . 0.81 111.537 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' THR . . . . . . . . . . . . . 3.1 p -73.15 161.49 30.54 Favored 'General case' 0 C--O 1.27 2.145 0 CA-C-N 113.807 -1.542 . . . . 0.6 107.995 166.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.57 HD21 ' HG ' ' B' ' 326' ' ' LEU 0.278 1.2 pt? -131.02 140.01 50.05 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 113.02 -3.472 . . . . 0.6 112.51 135.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -120.84 79.24 1.47 Allowed 'General case' 0 C--O 1.296 3.545 0 O-C-N 120.366 -1.459 . . . . 0.81 108.997 -159.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 47.6 m -59.77 -52.17 66.61 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 124.961 1.413 . . . . 0.6 112.612 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' THR . . . . . . . . . . . . . 69.9 p -116.99 -43.8 2.84 Favored 'General case' 0 C--O 1.277 2.546 0 CA-C-O 113.977 -2.916 . . . . 0.6 114.597 -157.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' TRP . . . . . . . . . . . . . 96.3 m95 . . . . . 0 C--N 1.301 -1.522 0 CA-C-N 124.704 3.411 . . . . 0.6 113.908 173.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 300' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.407 -2.587 0 N-CA-C 113.59 0.959 . . . . 0.6 113.59 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 301' ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' A' ' 202' ' ' ALA . . . 134.18 99.02 0.63 Allowed Glycine 0 CA--C 1.537 1.462 0 C-N-CA 130.339 3.828 . . . . 0.6 112.774 -177.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 302' ' ' ALA . . . . . . . . . . . . . . . 89.29 -143.31 0.01 OUTLIER 'General case' 0 CA--C 1.596 2.712 1 C-N-CA 131.755 4.022 . . . . 0.6 104.769 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 303' ' ' THR . . . . . . . . . . . . . 3.5 m -152.76 143.18 22.61 Favored 'General case' 0 C--O 1.258 1.506 0 C-N-CA 111.985 -3.886 . . . . 0.6 109.205 -131.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 304' ' ' ALA . . . . . . . . . . . . . . . -142.6 132.56 24.33 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 116.238 1.94 . . . . 0.6 116.238 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 305' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 205' ' ' VAL . 0.3 OUTLIER -129.3 154.59 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.699 0 CA-C-O 114.602 -2.618 . . . . 0.6 112.607 172.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 306' ' ' SER . . . . . . . . . . . . . 71.6 m -132.78 158.62 41.98 Favored 'General case' 0 C--O 1.273 2.32 1 O-C-N 130.427 4.829 . . . . 0.6 114.072 172.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 307' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -143.67 147.66 34.62 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 123.532 1.634 . . . . 0.81 107.477 162.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 308' ' ' TRP . . . . . . . . . . . . . 3.1 m-90 -134.42 76.01 1.62 Allowed 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 106.085 -1.82 . . . . 0.6 106.085 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 309' ' ' THR . . . . . . . . . . . . . 23.9 m -97.48 129.42 44.66 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 125.204 1.565 . . . . 0.6 113.25 -167.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 310' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -126.7 112.95 16.03 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 105.165 -2.161 . . . . 0.81 105.165 168.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 311' ' ' TYR . . . . . 0.406 ' CD1' ' HB2' ' A' ' 211' ' ' TYR . 0.3 OUTLIER -132.15 86.53 2.34 Favored 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 130.713 3.605 . . . . 0.6 110.75 -165.14 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 312' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -116.43 68.8 0.74 Allowed 'General case' 0 C--N 1.271 -2.809 0 O-C-N 118.834 -2.416 . . . . 0.73 113.11 -162.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 313' ' ' THR . . . . . . . . . . . . . 54.5 m -118.58 121.27 39.82 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 118.756 -2.465 . . . . 0.6 107.909 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 314' ' ' ALA . . . . . . . . . . . . . . . -66.25 -64.93 0.75 Allowed 'General case' 0 C--N 1.369 1.439 0 CA-C-O 115.529 -2.177 . . . . 0.6 107.648 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 315' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.5 134.35 46.23 Favored 'General case' 0 CA--C 1.565 1.543 0 O-C-N 128.745 3.778 . . . . 0.8 117.003 -172.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 316' ' ' GLY . . . . . . . . . . . . . . . -69.84 81.78 0.32 Allowed Glycine 0 CA--C 1.464 -3.133 0 O-C-N 126.567 2.417 . . . . 0.6 108.604 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 317' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -160.8 -41.92 0.05 OUTLIER 'General case' 1 C--O 1.306 4.063 0 CA-C-O 122.888 1.327 . . . . 0.73 111.856 -168.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 318' ' ' THR . . . . . . . . . . . . . 4.5 m -37.71 129.08 1.14 Allowed 'General case' 0 N--CA 1.487 1.418 1 C-N-CA 133.586 4.754 . . . . 0.6 106.315 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 319' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -111.92 123.02 49.37 Favored 'General case' 0 C--N 1.376 1.747 1 O-C-N 115.446 -4.534 . . . . 0.6 105.411 165.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 320' ' ' TYR . . . . . 0.4 ' CD1' ' CE2' ' C' ' 420' ' ' TYR . 7.6 t80 -125.05 120.37 31.29 Favored 'General case' 0 C--O 1.268 2.03 0 O-C-N 120.686 -1.259 . . . . 0.6 107.886 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 321' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -130.5 111.4 12.24 Favored 'General case' 0 C--N 1.273 -2.759 0 N-CA-C 107.465 -1.309 . . . . 0.6 107.465 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 322' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -125.22 137.86 54.12 Favored 'General case' 0 N--CA 1.515 2.808 0 CA-C-N 124.074 3.124 . . . . 0.71 110.989 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -134.23 92.64 2.96 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 112.933 -1.939 . . . . 0.71 110.318 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 324' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -106.77 129.07 54.7 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-O 116.625 -1.655 . . . . 0.81 110.509 -162.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 325' ' ' THR . . . . . 0.536 ' C ' HD12 ' B' ' 326' ' ' LEU . 2.6 m -134.81 138.89 44.65 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 127.839 3.212 . . . . 0.6 118.334 -175.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 226' ' ' LEU . 4.8 mp -135.86 112.86 10.35 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 128.591 2.756 . . . . 0.6 105.015 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.37 121.75 45.21 Favored 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 111.634 -2.53 . . . . 0.81 111.833 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' SER . . . . . . . . . . . . . 48.4 p -125.75 112.34 15.95 Favored 'General case' 0 CA--C 1.606 3.104 0 CA-C-N 110.392 -3.094 . . . . 0.6 112.783 145.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' THR . . . . . . . . . . . . . 3.3 p -120.93 177.32 5.15 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 122.196 2.271 . . . . 0.6 111.906 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 C--O 1.193 -1.889 1 C-N-CA 131.848 4.059 . . . . 0.6 109.259 -169.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 400' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 N--CA 1.45 -0.475 0 CA-C-O 123.52 1.628 . . . . 0.6 108.932 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 401' ' ' GLY . . . . . . . . . . . . . . . 74.22 57.64 4.65 Favored Glycine 0 N--CA 1.411 -3.03 0 N-CA-C 106.178 -2.769 . . . . 0.6 106.178 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 402' ' ' ALA . . . . . . . . . . . . . . . -160.01 164.15 33.46 Favored 'General case' 0 C--N 1.395 2.565 0 CA-C-N 117.946 0.873 . . . . 0.6 110.138 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 403' ' ' THR . . . . . . . . . . . . . 34.3 p -128.93 144.68 51.25 Favored 'General case' 0 C--O 1.303 3.893 0 N-CA-C 108.946 -0.761 . . . . 0.6 108.946 167.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 404' ' ' ALA . . . . . . . . . . . . . . . -146.47 143.01 28.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 116.806 -1.958 . . . . 0.6 107.463 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 405' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.23 115.42 44.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.033 0 N-CA-C 105.507 -2.034 . . . . 0.6 105.507 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 406' ' ' SER . . . . . . . . . . . . . 13.5 m -111.59 69.9 0.7 Allowed 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.144 -0.935 . . . . 0.6 108.858 -173.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 407' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -96.38 133.63 40.54 Favored 'General case' 0 C--O 1.166 -3.296 0 O-C-N 126.769 2.543 . . . . 0.81 110.499 -174.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 408' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -116.59 146.66 42.52 Favored 'General case' 0 CA--C 1.569 1.679 0 CA-C-O 126.76 3.171 . . . . 0.6 109.259 152.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 409' ' ' THR . . . . . . . . . . . . . 19.3 m -152.21 134.09 14.85 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-N 109.7 -3.409 . . . . 0.6 111.671 164.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 410' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -114.54 122.48 46.67 Favored 'General case' 0 C--O 1.187 -2.222 0 CA-C-O 122.5 1.143 . . . . 0.81 112.34 160.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 411' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -126.4 127.84 46.1 Favored 'General case' 0 C--N 1.365 1.271 0 CA-C-N 114.691 -1.14 . . . . 0.6 108.136 -166.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 412' ' ' LYS . . . . . . . . . . . . 0.294 72.9 tttt -133.56 126.86 31.89 Favored 'General case' 0 CA--C 1.465 -2.305 0 CA-C-O 126.925 3.25 . . . . 0.73 109.238 -171.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 413' ' ' THR . . . . . . . . . . . . . 1.8 m -137.02 135.98 38.05 Favored 'General case' 0 N--CA 1.537 3.896 0 O-C-N 118.419 -2.676 . . . . 0.6 112.15 -175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 414' ' ' ALA . . . . . . . . . . . . . . . -79.05 -45.3 20.42 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 126.932 2.093 . . . . 0.6 109.626 172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 415' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.35 122.64 38.25 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 113.708 1.003 . . . . 0.8 113.708 -171.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 416' ' ' GLY . . . . . . . . . . . . . . . -65.34 -7.38 32.3 Favored Glycine 1 N--CA 1.53 4.942 0 C-N-CA 114.441 -3.742 . . . . 0.6 116.419 -169.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 417' ' ' LYS . . . . . . . . . . . . . 14.8 tptp -50.12 -14.64 0.16 Allowed 'General case' 0 CA--C 1.492 -1.287 0 O-C-N 117.617 -3.284 . . . . 0.73 119.152 166.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.47 151.08 47.32 Favored 'General case' 0 C--O 1.197 -1.672 0 O-C-N 120.486 -1.384 . . . . 0.6 110.838 173.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 419' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -111.22 128.72 56.01 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 113.682 0.993 . . . . 0.6 113.682 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 420' ' ' TYR . . . . . 0.4 ' CE2' ' CD1' ' B' ' 320' ' ' TYR . 50.5 t80 -126.2 129.38 48.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-O 117.956 -1.021 . . . . 0.6 108.757 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 421' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -139.39 111.55 7.48 Favored 'General case' 0 N--CA 1.409 -2.493 0 C-N-CA 128.171 2.589 . . . . 0.6 113.703 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 422' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -118.55 125.11 49.13 Favored 'General case' 0 C--N 1.379 1.866 0 CA-C-N 113.991 -1.459 . . . . 0.71 110.09 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 423' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -139.4 97.16 3.22 Favored 'General case' 0 N--CA 1.531 3.594 0 CA-C-N 113.118 -1.856 . . . . 0.71 109.819 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 424' ' ' ARG . . . . . 0.44 HH12 ' CD ' ' D' ' 507' ' ' GLU . 14.3 mtm180 -99.46 135.65 40.55 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 129.578 3.151 . . . . 0.81 110.33 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 425' ' ' THR . . . . . . . . . . . . . 48.3 m -139.13 124.39 19.1 Favored 'General case' 0 C--N 1.272 -2.778 0 O-C-N 128.154 3.408 . . . . 0.6 105.121 -175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 426' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.64 148.34 39.01 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.28 -1.512 . . . . 0.6 112.204 167.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 427' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -149.89 129.65 13.27 Favored 'General case' 0 N--CA 1.407 -2.594 0 C-N-CA 120.047 -0.661 . . . . 0.81 111.491 178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 428' ' ' SER . . . . . . . . . . . . . 54.5 m -97.33 110.7 23.2 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 129.79 3.236 . . . . 0.6 111.924 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 429' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.98 153.6 42.42 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 125.556 1.543 . . . . 0.6 109.797 168.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 430' ' ' TRP . . . . . . . . . . . . . 42.3 p-90 . . . . . 0 CA--C 1.57 1.713 0 O-C-N 118.959 -2.338 . . . . 0.6 111.609 -171.682 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 500' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.412 -2.367 0 N-CA-C 103.78 -2.674 . . . . 0.6 103.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 501' ' ' GLY . . . . . . . . . . . . . . . -118.91 -179.34 16.82 Favored Glycine 0 C--N 1.381 3.037 0 CA-C-O 115.445 -2.864 . . . . 0.6 110.219 -167.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 502' ' ' ALA . . . . . . . . . . . . . . . -95.38 157.15 16.02 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 102.031 -3.322 . . . . 0.6 102.031 -175.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 503' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.42 147.94 32.77 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 115.118 1.525 . . . . 0.6 115.118 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 504' ' ' ALA . . . . . . . . . . . . . . . -150.25 126.57 10.72 Favored 'General case' 0 C--N 1.266 -3.041 0 CA-C-O 116.372 -1.775 . . . . 0.6 111.964 -169.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 505' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.18 132.63 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 C-N-CA 126.931 2.092 . . . . 0.6 111.566 174.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 506' ' ' SER . . . . . . . . . . . . 0.375 6.9 p -156.42 100.5 1.97 Allowed 'General case' 0 C--O 1.297 3.556 0 C-N-CA 114.94 -2.704 . . . . 0.6 108.29 -166.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 507' ' ' GLU . . . . . 0.44 ' CD ' HH12 ' C' ' 424' ' ' ARG . 8.6 pt-20 -126.26 125.99 43.26 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 106.824 -1.547 . . . . 0.81 106.824 -171.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 508' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -100.43 96.69 7.58 Favored 'General case' 0 C--N 1.372 1.545 0 N-CA-C 105.394 -2.076 . . . . 0.6 105.394 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 509' ' ' THR . . . . . . . . . . . . . 20.0 p -118.51 93.72 4.21 Favored 'General case' 0 C--O 1.26 1.645 1 O-C-N 129.163 4.039 . . . . 0.6 111.578 -170.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 510' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -104.13 86.82 2.63 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.165 -1.585 . . . . 0.81 108.611 -177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 511' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -118.77 113.08 20.57 Favored 'General case' 0 N--CA 1.394 -3.253 0 N-CA-C 101.781 -3.415 . . . . 0.6 101.781 -169.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 512' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -119.23 119.16 33.26 Favored 'General case' 0 C--N 1.366 1.304 0 CA-C-O 116.427 -1.749 . . . . 0.73 113.708 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 513' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 117.64 32.64 Favored 'General case' 0 N--CA 1.505 2.29 0 N-CA-C 102.029 -3.323 . . . . 0.6 102.029 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 514' ' ' ALA . . . . . . . . . . . . . . . -58.63 -56.61 19.95 Favored 'General case' 0 C--N 1.285 -2.223 0 O-C-N 124.859 1.35 . . . . 0.6 110.527 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 515' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -108.98 86.79 2.35 Favored 'General case' 0 C--O 1.2 -1.509 0 O-C-N 125.572 1.795 . . . . 0.8 111.428 175.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 516' ' ' GLY . . . . . . . . . . . . . . . -46.24 63.72 0.0 OUTLIER Glycine 0 N--CA 1.507 3.416 0 C-N-CA 129.807 3.575 . . . . 0.6 113.383 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 517' ' ' LYS . . . . . . . . . . . . . 10.1 mmmm -100.61 39.61 1.35 Allowed 'General case' 0 N--CA 1.424 -1.766 0 O-C-N 117.839 -3.154 . . . . 0.73 107.282 161.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 518' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.74 125.95 26.92 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 111.668 -2.515 . . . . 0.6 114.402 -162.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 519' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -94.19 107.13 19.09 Favored 'General case' 0 CA--C 1.579 2.078 0 CA-C-N 121.494 1.952 . . . . 0.6 106.692 154.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 520' ' ' TYR . . . . . . . . . . . . 0.311 77.6 t80 -137.95 123.89 20.12 Favored 'General case' 0 N--CA 1.508 2.469 0 CA-C-O 114.708 -2.567 . . . . 0.6 110.794 -177.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 521' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -121.23 136.55 54.95 Favored 'General case' 0 CA--C 1.489 -1.392 0 O-C-N 127.389 2.931 . . . . 0.6 111.995 172.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 522' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -149.95 131.89 15.2 Favored 'General case' 0 N--CA 1.389 -3.522 0 O-C-N 126.791 2.557 . . . . 0.71 107.878 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 523' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -139.69 131.59 27.68 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 119.264 -2.147 . . . . 0.71 111.545 -179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 524' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 123.8 48.7 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 107.559 -1.274 . . . . 0.81 107.559 160.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 525' ' ' THR . . . . . . . . . . . . . 1.6 m -110.92 144.73 39.51 Favored 'General case' 0 C--O 1.253 1.254 0 CA-C-O 125.943 2.783 . . . . 0.6 106.373 149.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 526' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.48 104.94 1.64 Allowed 'General case' 0 CA--C 1.49 -1.339 0 CA-C-N 113.644 -1.616 . . . . 0.6 106.719 -146.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 527' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -137.19 143.88 42.59 Favored 'General case' 0 C--O 1.211 -0.946 0 O-C-N 119.279 -2.138 . . . . 0.81 113.086 -164.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 528' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 20.94 13.03 Favored 'General case' 0 CA--C 1.61 3.287 0 N-CA-C 106.344 -1.725 . . . . 0.6 106.344 -175.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 529' ' ' THR . . . . . . . . . . . . . 7.3 m 41.06 82.76 0.02 OUTLIER 'General case' 0 N--CA 1.428 -1.55 0 C-N-CA 126.829 2.051 . . . . 0.6 112.96 -165.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 530' ' ' TRP . . . . . . . . . . . . . 33.7 p-90 . . . . . 0 C--N 1.39 2.334 0 CA-C-O 116.298 -1.81 . . . . 0.6 113.729 165.271 . . . . . . . . 0 0 . 1 stop_ save_