data_2dae_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 2dae _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' CD ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' ' CG ' ' A' ' 50' ' ' GLU . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.467 ' CD ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' GLU . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 11' ' ' PHE . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' LYS . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CD2' HD12 ' A' ' 47' ' ' LEU . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.497 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CG ' HD11 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LYS . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' HG23 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 24' ' ' VAL . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' HIS . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CD ' HD13 ' A' ' 14' ' ' LEU . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.499 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.492 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' CG ' HD11 ' A' ' 14' ' ' LEU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 47' ' ' LEU . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.477 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 14' ' ' LEU . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 47' ' ' LEU . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG23 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 21' ' ' PHE . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.5 t60 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.461 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.49 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.49 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 t-160 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.467 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CD1' HD11 ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 21' ' ' PHE . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.447 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' CD ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.418 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.418 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LYS . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.3 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.504 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.504 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 47' ' ' LEU . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 18' ' ' ARG . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 21' ' ' PHE . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.7 t-160 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' GLU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' ND2' ' A' ' 36' ' ' ASN . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' ND2' ' SG ' ' A' ' 32' ' ' CYS . 69.3 m-80 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLN . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 28' ' ' VAL . 6.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' ASP . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.441 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CG ' HD13 ' A' ' 14' ' ' LEU . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.449 ' CD1' HD12 ' A' ' 47' ' ' LEU . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 29' ' ' VAL . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 24' ' ' VAL . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 21' ' ' PHE . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.452 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' VAL . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLN . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.448 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' HD11 ' A' ' 14' ' ' LEU . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 ' CG1' ' OE2' ' A' ' 50' ' ' GLU . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 ' CE1' ' A' ' 11' ' ' PHE . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.483 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 9' ' ' ILE . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.483 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 29' ' ' VAL . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 131.05 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 172.93 22.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -107.02 142.83 36.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 130.36 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.99 -147.38 17.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.72 144.92 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' CD ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 ' O ' ' CG ' ' A' ' 50' ' ' GLU . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' LEU . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -91.38 -16.36 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -99.25 -110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -42.57 -26.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.27 146.91 18.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 68.91 159.93 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.32 131.35 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 57.49 179.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.62 15.3 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.14 139.71 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -90.37 133.91 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 p -157.08 108.75 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -113.11 122.24 46.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -172.33 138.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.7 p -92.5 142.67 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.46 116.43 0.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.36 132.08 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -142.19 116.88 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.9 77.75 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m 56.32 103.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 t -55.5 158.73 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 63.92 94.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.53 155.08 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.47 90.77 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -157.63 127.49 6.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m 58.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.4 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.88 146.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.464 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' CD ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 26' ' ' GLU . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.415 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' TYR . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -96.94 -28.34 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.6 mt -72.76 -11.14 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' THR . 89.9 m-85 -150.42 87.82 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.14 -58.79 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -152.35 74.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.82 -151.81 6.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -158.58 168.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.23 98.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.16 156.0 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -175.81 119.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -160.14 170.75 20.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.06 108.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.58 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 58.04 162.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.85 126.7 2.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.8 mt -139.29 138.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m 179.15 161.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 158.8 30.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 t -153.91 161.49 41.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t 66.5 158.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -151.09 167.95 26.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -152.79 -58.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 178.42 21.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 64.44 104.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.26 146.11 49.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.74 178.95 34.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 68.29 145.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 HG21 ' CE1' ' A' ' 11' ' ' PHE . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 20' ' ' LYS . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CD2' HD12 ' A' ' 47' ' ' LEU . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.483 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -91.18 -23.13 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -75.61 -11.97 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -156.24 90.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.52 -83.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.53 78.86 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.87 2.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -128.59 158.74 37.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.86 68.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.51 154.87 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.97 97.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.62 105.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -155.25 110.52 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.03 111.84 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.63 165.23 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.94 -153.43 7.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt 54.88 86.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 p -132.28 124.2 28.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.34 -147.2 15.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.55 16.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 p -114.21 139.01 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.4 t -76.76 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -45.29 130.96 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -118.27 129.57 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.59 -161.5 37.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -61.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -176.83 107.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.45 -132.51 42.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 62.97 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.497 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' CG ' HD11 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 26' ' ' GLU . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.407 ' O ' ' CG2' ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -88.3 -22.95 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.49 -105.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.52 61.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.73 -73.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.93 166.23 25.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.05 -145.53 41.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.57 144.47 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.76 -105.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -129.39 99.18 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -33.24 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 p -146.41 103.34 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.35 116.94 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -157.47 92.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 t -144.57 159.32 42.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.29 -175.72 21.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.2 pp -112.43 149.9 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.37 128.68 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.87 96.55 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.91 175.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -151.31 144.28 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.42 162.86 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.74 163.4 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.14 -120.77 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -174.53 93.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.63 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 86.96 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -169.72 135.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' LYS . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' NH2' HG23 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 24' ' ' VAL . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -96.23 -24.86 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.1 mt -75.73 -10.9 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -151.43 87.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.18 89.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 52.74 83.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.03 -174.77 20.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.431 1.082 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.56 162.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -129.27 64.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.3 159.37 41.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.06 101.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m 66.29 158.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -133.24 138.05 46.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -92.06 151.12 20.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 p -141.74 166.87 23.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.79 -73.34 0.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mm 58.66 73.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -162.87 160.57 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.44 96.45 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.15 10.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.32 86.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -167.47 105.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.162 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.6 p 40.54 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 74.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p 46.25 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -58.28 155.14 12.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -122.67 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 64.33 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' HIS . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' CD ' HD13 ' A' ' 14' ' ' LEU . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.499 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.499 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 -86.39 -23.79 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.8 mt -73.91 -11.35 60.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 88.3 m-85 -150.57 90.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.09 -128.79 2.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.12 105.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.733 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.05 67.66 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.2 t0 179.66 167.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.52 -105.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t30 75.14 139.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.9 t80 53.87 170.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 157.24 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.47 167.32 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.34 158.67 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 t -161.54 166.83 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.78 121.59 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.7 mt -81.37 118.52 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 p -94.55 152.46 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.53 158.79 23.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.68 34.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -136.48 144.77 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -80.67 158.97 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -158.54 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.31 154.21 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.47 -176.17 14.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 62.35 130.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -154.32 141.42 19.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.17 -68.22 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.83 149.5 25.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.492 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 14' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' CG ' HD11 ' A' ' 14' ' ' LEU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 47' ' ' LEU . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' LEU . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -88.74 -42.63 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 11.4 mt -144.82 -113.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -146.73 92.73 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.85 -104.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 121.31 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.34 70.79 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 176.69 135.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.01 82.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -169.94 93.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.0 114.29 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 t -162.9 121.0 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.79 121.55 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -131.68 154.44 48.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -160.25 164.53 32.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.38 67.22 1.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.9 mm -131.04 148.32 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 p -153.35 171.84 17.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.48 97.1 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -137.66 158.75 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.99 111.76 11.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.065 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -110.62 166.45 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 40.34 88.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.4 -87.25 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 91.84 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -173.71 135.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 82.24 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -145.39 152.54 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.477 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.477 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 14' ' ' LEU . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' CD2' HD11 ' A' ' 47' ' ' LEU . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG23 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 21' ' ' PHE . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' A' ' 55' ' ' LEU . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -90.11 -17.28 27.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -88.61 -110.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.03 -17.31 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.82 127.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.37 115.46 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.18 -59.2 0.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -59.97 154.09 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.24 -105.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.02 156.73 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -90.85 123.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.06 98.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 179.44 153.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.8 141.21 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 80.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.25 114.59 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mm -141.98 132.9 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 m -167.64 162.1 13.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.34 158.71 31.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -142.97 -55.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.54 170.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -56.81 142.29 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.51 121.59 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.94 -138.91 10.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -114.5 -58.29 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -130.63 103.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 101.56 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 150.59 35.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.463 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.493 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.5 t60 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.461 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LEU . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -91.84 -35.13 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' THR . 8.3 mt -144.24 -111.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -151.05 95.55 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' N ' ' OG1' ' A' ' 52' ' ' THR . . . -85.48 -128.38 2.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.47 160.47 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.13 177.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.91 166.64 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -127.75 64.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.42 155.06 15.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 53.0 174.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 m 72.2 -60.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.38 153.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.6 155.32 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.5 m -129.35 118.73 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.46 81.61 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.4 tt -98.94 63.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.59 121.35 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.62 113.9 3.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 80.47 2.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.3 m -97.33 -57.84 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 m -45.75 -58.42 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.76 84.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.97 111.53 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 86.71 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -172.93 113.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -86.96 143.45 27.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 -173.77 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 66.71 146.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.49 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 t-160 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' CG ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CD1' HD11 ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD11 ' CD1' ' A' ' 21' ' ' PHE . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 59' ' ' GLY . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 -78.71 -24.79 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.48 -108.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -44.92 -24.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 115.03 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.25 -179.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 53' ' ' ARG . . . -42.23 112.36 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 59.84 163.96 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 0.783 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.7 mp 64.19 120.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -155.31 120.89 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.01 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -83.6 125.01 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.12 158.83 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.12 165.93 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -174.85 164.8 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.93 102.43 0.55 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 pt -140.27 91.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -153.27 140.82 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.63 -146.92 5.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 t 63.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.2 m -120.73 -58.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.46 161.33 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -175.71 163.35 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 127.41 7.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.33 100.36 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.46 169.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -144.97 5.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 64.89 136.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 14' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.564 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 -82.99 -13.97 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -77.96 -106.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.24 58.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.02 -56.78 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 65.11 138.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.95 -61.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.02 108.62 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.94 65.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.16 108.88 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.21 -41.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p 176.22 138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.03 118.46 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 175.25 131.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.16 154.09 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.18 -87.44 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 70' ' ' SER . 1.4 tt 44.57 -167.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.495 ' N ' ' CG2' ' A' ' 69' ' ' ILE . 3.9 m 60.2 150.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.69 -148.93 7.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -141.91 -53.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -151.44 123.51 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -167.7 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 84.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 132.92 49.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.52 -58.28 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -116.82 123.78 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 93.49 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.19 153.5 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.447 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.447 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' CD ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.453 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.453 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' TYR . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -94.82 -23.56 17.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -76.18 -11.54 59.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' THR . 98.8 m-85 -151.25 89.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.51 -63.88 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.09 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.45 111.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.62 120.0 2.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.92 163.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.37 -105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -138.88 93.14 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.2 103.65 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.49 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.68 101.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -41.36 113.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -132.31 139.9 48.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.59 -155.55 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLY . 12.8 pt -117.75 -40.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 m 68.25 -67.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . 51.57 -165.04 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.87 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.4 t -67.57 -55.85 11.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m 62.41 82.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.92 146.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 p -65.26 91.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 -124.63 5.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -154.92 -57.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -129.33 125.14 36.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -165.26 37.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -120.36 138.03 53.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.418 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LYS . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.3 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LEU . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.33 -24.47 16.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.3 mt -76.23 -10.85 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -151.68 81.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.83 5.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -40.46 112.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.11 -57.18 18.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.81 175.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.6 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -147.8 129.23 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.23 95.16 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 t -168.71 155.41 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.76 145.48 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.43 114.19 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -112.17 -58.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.65 153.85 22.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -94.04 157.68 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -125.62 167.95 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.02 157.63 15.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 m -164.47 114.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m 45.59 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.28 21.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 48.72 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 73.07 -66.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 157.23 8.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.46 143.43 45.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.504 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD2' HD11 ' A' ' 47' ' ' LEU . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 18' ' ' ARG . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 21' ' ' PHE . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.54 -2.1 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.6 mt -93.08 -107.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -53.93 -18.69 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.41 -93.67 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -44.94 147.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.97 138.15 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.64 134.25 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -93.52 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -163.41 102.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 t80 50.87 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.82 128.68 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -135.36 110.45 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -83.53 126.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 m -94.55 170.14 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.58 -162.6 9.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.6 124.28 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -83.08 -54.57 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.71 157.39 9.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.47 9.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 p 178.06 111.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -178.19 162.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.59 125.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.89 109.8 21.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 -140.14 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.1 145.55 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.95 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.72 78.82 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -160.05 140.99 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.407 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.7 t-160 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 18' ' ' ARG . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 26' ' ' GLU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' ND2' ' A' ' 36' ' ' ASN . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' ND2' ' SG ' ' A' ' 32' ' ' CYS . 69.3 m-80 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLN . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 28' ' ' VAL . 6.7 m-85 -88.4 -43.86 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -144.1 -113.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -152.61 98.25 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.11 -107.77 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.57 164.43 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.06 119.43 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 137.44 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -108.24 -18.94 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.94 127.79 33.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -126.99 130.96 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -115.59 91.98 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.51 163.78 21.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 133.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 135.1 12.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.79 -165.86 26.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.36 167.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.56 155.74 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.95 94.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 t -165.73 161.09 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 p 42.96 88.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.02 136.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 0.743 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.09 132.4 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 74.58 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -156.4 109.91 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -123.41 158.32 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.31 -105.32 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 158.33 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 10' ' ' ASP . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.441 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 14' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' CG ' HD13 ' A' ' 14' ' ' LEU . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.449 ' CD1' HD12 ' A' ' 47' ' ' LEU . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 29' ' ' VAL . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 24' ' ' VAL . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.428 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 21' ' ' PHE . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 -92.42 -27.42 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 HD22 ' N ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -66.07 -109.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -70.31 58.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.11 -53.13 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -24.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.79 135.11 3.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.83 128.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 0.795 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.86 62.82 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 63' ' ' PHE . 43.5 t-20 -115.59 136.57 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.429 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -86.66 114.91 23.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.44 105.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.33 119.27 37.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.81 110.72 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.0 p -97.53 138.31 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.18 113.94 3.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 tt -113.63 -38.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -163.37 167.32 21.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.46 157.91 19.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.7 p -173.99 133.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 t -164.24 157.82 18.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.37 94.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -68.8 165.24 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.25 135.54 12.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.78 90.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m 67.09 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.24 100.57 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.44 159.43 15.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.452 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 29' ' ' VAL . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' GLU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' GLN . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -93.21 -25.3 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.21 -12.09 61.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -152.99 90.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.68 -103.23 1.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.37 121.17 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.49 79.17 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.0 151.06 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.09 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -62.15 139.45 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -79.37 117.33 20.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.23 169.74 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -165.35 166.56 18.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.06 118.6 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.54 134.37 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.64 -88.3 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mt 61.34 96.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -74.87 166.88 22.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.99 157.21 15.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.08 32.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -124.79 125.6 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -39.4 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -148.53 95.13 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.04 130.71 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.16 -72.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -160.2 -60.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.18 106.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.86 153.25 22.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 63.81 157.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' HA ' ' ND2' ' A' ' 38' ' ' ASN . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.448 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.448 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD11 ' CD ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.47 ' CD ' HD11 ' A' ' 14' ' ' LEU . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' GLU . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 9' ' ' ILE . 0.5 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.408 ' CG1' ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.46 -20.11 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -90.09 -111.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -69.27 59.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . -143.5 114.81 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' GLY . 4.6 mt-10 -38.97 125.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.01 113.18 0.6 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.51 15.67 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.36 101.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m120 63.47 167.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 49.12 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -174.99 78.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 1.3 m-20 178.96 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 1.2 t70 78.96 -63.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 76.6 p -173.21 153.24 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.19 80.72 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.84 118.23 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.62 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 76.79 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m 62.97 130.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.6 t -160.3 -56.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -94.22 129.08 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 122.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.11 101.42 2.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.0 145.33 7.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 164.44 12.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 63.2 154.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' CD1' ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.409 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.477 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.462 ' SG ' ' CG1' ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HG ' ' CD1' ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 ' CG1' ' OE2' ' A' ' 50' ' ' GLU . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.456 ' OG ' ' CD1' ' A' ' 55' ' ' LEU . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.6 3.53 32.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 6.5 mt -103.72 -101.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.7 -12.53 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.35 84.68 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.16 82.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.25 -135.79 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.33 178.29 6.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -99.33 -98.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.9 m120 60.16 111.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.2 170.59 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.17 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.81 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -178.39 156.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.5 t -102.55 -58.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.62 107.14 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 tt -118.66 161.56 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.5 p -112.1 165.78 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.9 95.29 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.13 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.75 142.42 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.5 p -125.0 163.54 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.84 100.31 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.06 100.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.95 146.05 1.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -164.44 90.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -76.99 125.33 29.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.04 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -88.69 142.39 27.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 HG22 ' CE1' ' A' ' 11' ' ' PHE . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.483 ' CG ' ' CG2' ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.42 ' CE1' HG22 ' A' ' 9' ' ' ILE . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.483 ' CG2' ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD12 ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' CG ' HD12 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 29' ' ' VAL . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.5 ' OG ' ' CD1' ' A' ' 55' ' ' LEU . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.33 -25.61 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -82.99 -106.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -48.66 -22.41 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.87 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.84 73.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.28 76.45 0.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.64 108.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.1 mt -131.27 -105.18 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 12.3 t30 72.78 158.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 76.8 m-85 -158.12 139.43 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 145.64 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.89 149.98 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.58 166.87 21.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m 62.86 142.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.65 -170.37 27.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -135.42 135.19 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 114.72 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.47 157.53 6.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.41 3.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -166.53 140.83 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 p -90.89 118.26 30.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.616 HG23 ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 32' ' ' CYS . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.571 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 47' ' ' LEU . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 24' ' ' VAL . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' OD1' HD13 ' A' ' 9' ' ' ILE . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.549 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 17' ' ' LEU . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.619 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.619 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.715 HG13 ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.715 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 9' ' ' ILE . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 47' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' HD12 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.702 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.702 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG23 HG12 ' A' ' 24' ' ' VAL . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.556 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.643 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ALA . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.655 ' CG ' HG23 ' A' ' 13' ' ' VAL . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' CG ' ' A' ' 10' ' ' ASP . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 47' ' ' LEU . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.558 HH21 HG21 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.69 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 47' ' ' LEU . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.561 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.657 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG11 ' SG ' ' A' ' 32' ' ' CYS . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 29' ' ' VAL . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.588 ' CG ' HG23 ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' OD1' HD21 ' A' ' 40' ' ' LEU . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.468 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' LEU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' HG11 ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.668 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.622 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.652 ' CG ' HG23 ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.652 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.647 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE1' ' A' ' 26' ' ' GLU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' SER . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.683 ' CG ' HG23 ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.683 HG23 ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 40' ' ' LEU . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 29' ' ' VAL . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 27.2 m120 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.719 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 29' ' ' VAL . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.709 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.638 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 16.9 t-80 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.643 ' OD2' HD11 ' A' ' 40' ' ' LEU . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD21 ' O ' ' A' ' 40' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' PRO . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' OD1' HD13 ' A' ' 9' ' ' ILE . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.633 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 6.0 t-80 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 40' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 24' ' ' VAL . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.583 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 35.4 m120 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.828 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 42' ' ' ALA . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HG13 ' A' ' 29' ' ' VAL . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.644 ' CG ' HG23 ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.691 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.691 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.672 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' OE1' ' A' ' 50' ' ' GLU . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG22 ' CD2' ' A' ' 47' ' ' LEU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.83 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.83 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 42' ' ' ALA . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.708 ' CD2' HG22 ' A' ' 29' ' ' VAL . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.813 HE21 ' N ' ' A' ' 8' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' LEU . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.701 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.701 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.683 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.641 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.641 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 HD12 ' A' ' 47' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.542 HH21 HD21 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 24' ' ' VAL . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 34' ' ' LEU . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.692 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 50' ' ' GLU . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.653 HD12 HD22 ' A' ' 17' ' ' LEU . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' CG ' HG23 ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.603 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.3 t-80 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.556 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HZ ' ' HG ' ' A' ' 44' ' ' CYS . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 47' ' ' LEU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.611 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 42' ' ' ALA . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD2' HG22 ' A' ' 29' ' ' VAL . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.58 ' CG ' HG23 ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 44' ' ' CYS . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 47' ' ' LEU . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.552 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 10' ' ' ASP . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.797 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.797 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG11 ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 24' ' ' VAL . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 14' ' ' LEU . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 47' ' ' LEU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' SER . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 52' ' ' THR . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.647 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG23 ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 HG12 ' A' ' 24' ' ' VAL . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.543 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 10' ' ' ASP . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.41 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.678 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.86 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.86 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 47' ' ' LEU . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.678 HG11 ' SG ' ' A' ' 32' ' ' CYS . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 43' ' ' CYS . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.577 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' LEU . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 40' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 HH21 HD21 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.699 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.706 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.546 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 131.05 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 172.93 22.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -107.02 142.83 36.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 130.36 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.99 -147.38 17.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.72 144.92 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.616 HG23 ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.535 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.7 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 32' ' ' CYS . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 55' ' ' LEU . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -91.38 -16.36 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -99.25 -110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -42.57 -26.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.27 146.91 18.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 68.91 159.93 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.32 131.35 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' C ' HD23 ' A' ' 61' ' ' LEU . 2.1 m-20 57.49 179.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -117.62 15.3 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.14 139.71 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -90.37 133.91 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 p -157.08 108.75 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -113.11 122.24 46.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -172.33 138.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.7 p -92.5 142.67 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.46 116.43 0.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.36 132.08 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -142.19 116.88 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.9 77.75 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m 56.32 103.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 t -55.5 158.73 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 63.92 94.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.53 155.08 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.47 90.77 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -157.63 127.49 6.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m 58.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.4 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.88 146.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.571 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 47' ' ' LEU . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 55' ' ' LEU . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 24' ' ' VAL . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' OD1' HD13 ' A' ' 9' ' ' ILE . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.549 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 17' ' ' LEU . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 56' ' ' TYR . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -96.94 -28.34 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.6 mt -72.76 -11.14 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 52' ' ' THR . 89.9 m-85 -150.42 87.82 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.14 -58.79 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -152.35 74.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.82 -151.81 6.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -158.58 168.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.23 98.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.16 156.0 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -175.81 119.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -160.14 170.75 20.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.06 108.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.58 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 58.04 162.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.85 126.7 2.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.8 mt -139.29 138.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m 179.15 161.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 158.8 30.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 t -153.91 161.49 41.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t 66.5 158.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -151.09 167.95 26.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -152.79 -58.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 178.42 21.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 64.44 104.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.26 146.11 49.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.74 178.95 34.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 68.29 145.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.619 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.619 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.715 HG13 ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.715 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 9' ' ' ILE . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -91.18 -23.13 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -75.61 -11.97 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -156.24 90.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.52 -83.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.53 78.86 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.87 2.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -128.59 158.74 37.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.86 68.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.51 154.87 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.97 97.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.62 105.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -155.25 110.52 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.03 111.84 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.63 165.23 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.94 -153.43 7.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt 54.88 86.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 p -132.28 124.2 28.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.34 -147.2 15.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.55 16.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 p -114.21 139.01 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.4 t -76.76 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -45.29 130.96 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -118.27 129.57 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.59 -161.5 37.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -61.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -176.83 107.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.45 -132.51 42.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 62.97 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 47' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' HD12 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.702 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.702 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG23 HG12 ' A' ' 24' ' ' VAL . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.556 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.643 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ALA . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.544 ' C ' HD12 ' A' ' 55' ' ' LEU . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -88.3 -22.95 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 51' ' ' SER . 1.4 mt -67.49 -105.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.52 61.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.73 -73.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.93 166.23 25.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.05 -145.53 41.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.57 144.47 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.76 -105.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -129.39 99.18 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -33.24 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 p -146.41 103.34 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.35 116.94 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -157.47 92.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 t -144.57 159.32 42.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.29 -175.72 21.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.2 pp -112.43 149.9 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.37 128.68 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.87 96.55 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.91 175.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -151.31 144.28 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.42 162.86 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.74 163.4 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.14 -120.77 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -174.53 93.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.63 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 86.96 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -169.72 135.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.655 ' CG ' HG23 ' A' ' 13' ' ' VAL . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' CG ' ' A' ' 10' ' ' ASP . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 47' ' ' LEU . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.558 HH21 HG21 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.69 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 47' ' ' LEU . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.561 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG11 ' SG ' ' A' ' 32' ' ' CYS . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 29' ' ' VAL . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -96.23 -24.86 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.1 mt -75.73 -10.9 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -151.43 87.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.18 89.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 52.74 83.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.03 -174.77 20.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.431 1.082 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.56 162.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -129.27 64.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.3 159.37 41.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.06 101.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m 66.29 158.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -133.24 138.05 46.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -92.06 151.12 20.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 p -141.74 166.87 23.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.79 -73.34 0.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mm 58.66 73.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -162.87 160.57 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.44 96.45 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.15 10.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.32 86.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -167.47 105.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.162 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.6 p 40.54 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 74.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p 46.25 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -58.28 155.14 12.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -122.67 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 64.33 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.588 ' CG ' HG23 ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' OD1' HD21 ' A' ' 40' ' ' LEU . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.468 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' LEU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' HG11 ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 -86.39 -23.79 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.8 mt -73.91 -11.35 60.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 88.3 m-85 -150.57 90.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.09 -128.79 2.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.12 105.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.733 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.05 67.66 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.2 t0 179.66 167.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.52 -105.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t30 75.14 139.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.9 t80 53.87 170.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 157.24 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.47 167.32 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.34 158.67 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 t -161.54 166.83 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.78 121.59 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.7 mt -81.37 118.52 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 p -94.55 152.46 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.53 158.79 23.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.68 34.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -136.48 144.77 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -80.67 158.97 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -158.54 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.31 154.21 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.47 -176.17 14.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 62.35 130.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -154.32 141.42 19.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.17 -68.22 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.83 149.5 25.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.652 ' CG ' HG23 ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.652 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE1' ' A' ' 26' ' ' GLU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' SER . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' LEU . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -88.74 -42.63 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 11.4 mt -144.82 -113.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -146.73 92.73 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.85 -104.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 121.31 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.34 70.79 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 176.69 135.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.01 82.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -169.94 93.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.0 114.29 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 t -162.9 121.0 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.79 121.55 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -131.68 154.44 48.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -160.25 164.53 32.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.38 67.22 1.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.9 mm -131.04 148.32 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 p -153.35 171.84 17.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.48 97.1 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -137.66 158.75 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.99 111.76 11.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.065 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -110.62 166.45 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 40.34 88.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.4 -87.25 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 91.84 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -173.71 135.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 82.24 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -145.39 152.54 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.683 ' CG ' HG23 ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.683 HG23 ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 40' ' ' LEU . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 29' ' ' VAL . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 27.2 m120 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.719 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 29' ' ' VAL . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' A' ' 55' ' ' LEU . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -90.11 -17.28 27.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -88.61 -110.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.03 -17.31 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.82 127.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.37 115.46 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.18 -59.2 0.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -59.97 154.09 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.24 -105.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.02 156.73 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -90.85 123.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.06 98.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 179.44 153.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.8 141.21 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 80.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.25 114.59 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mm -141.98 132.9 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 m -167.64 162.1 13.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.34 158.71 31.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -142.97 -55.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.54 170.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -56.81 142.29 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.51 121.59 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.94 -138.91 10.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -114.5 -58.29 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -130.63 103.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 101.56 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 150.59 35.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.709 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.638 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 16.9 t-80 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.643 ' OD2' HD11 ' A' ' 40' ' ' LEU . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD21 ' O ' ' A' ' 40' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' PRO . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' OD1' HD13 ' A' ' 9' ' ' ILE . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LEU . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -91.84 -35.13 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' THR . 8.3 mt -144.24 -111.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -151.05 95.55 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' N ' ' OG1' ' A' ' 52' ' ' THR . . . -85.48 -128.38 2.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.47 160.47 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.13 177.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.91 166.64 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -127.75 64.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.42 155.06 15.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 53.0 174.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 m 72.2 -60.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.38 153.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.6 155.32 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.5 m -129.35 118.73 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.46 81.61 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 69' ' ' ILE . 10.4 tt -98.94 63.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.59 121.35 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.62 113.9 3.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 80.47 2.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.3 m -97.33 -57.84 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 m -45.75 -58.42 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.76 84.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.97 111.53 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 86.71 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -172.93 113.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -86.96 143.45 27.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 -173.77 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 66.71 146.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.633 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 6.0 t-80 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 40' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 24' ' ' VAL . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.583 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 35.4 m120 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.828 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 42' ' ' ALA . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HG13 ' A' ' 29' ' ' VAL . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 59' ' ' GLY . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 -78.71 -24.79 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.48 -108.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -44.92 -24.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . . . 115.03 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.25 -179.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 53' ' ' ARG . . . -42.23 112.36 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB3' HD12 ' A' ' 61' ' ' LEU . 2.4 m-20 59.84 163.96 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 0.783 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 60' ' ' ASP . 2.7 mp 64.19 120.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -155.31 120.89 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.01 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -83.6 125.01 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.12 158.83 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.12 165.93 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -174.85 164.8 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.93 102.43 0.55 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 pt -140.27 91.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -153.27 140.82 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.63 -146.92 5.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 t 63.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.2 m -120.73 -58.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.46 161.33 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -175.71 163.35 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 127.41 7.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.33 100.36 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.46 169.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -144.97 5.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 64.89 136.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.644 ' CG ' HG23 ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.691 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.691 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.672 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' OE1' ' A' ' 50' ' ' GLU . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 -82.99 -13.97 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -77.96 -106.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.24 58.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.02 -56.78 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 65.11 138.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.95 -61.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.02 108.62 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -142.94 65.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.16 108.88 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.21 -41.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p 176.22 138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.03 118.46 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 175.25 131.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.16 154.09 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.18 -87.44 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.747 HG23 ' N ' ' A' ' 70' ' ' SER . 1.4 tt 44.57 -167.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.747 ' N ' HG23 ' A' ' 69' ' ' ILE . 3.9 m 60.2 150.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.69 -148.93 7.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -141.91 -53.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -151.44 123.51 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -167.7 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 84.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 132.92 49.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.52 -58.28 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -116.82 123.78 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 93.49 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.19 153.5 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG22 ' CD2' ' A' ' 47' ' ' LEU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.83 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.83 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 42' ' ' ALA . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.708 ' CD2' HG22 ' A' ' 29' ' ' VAL . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' TYR . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -94.82 -23.56 17.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -76.18 -11.54 59.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' THR . 98.8 m-85 -151.25 89.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.51 -63.88 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.09 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.45 111.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.62 120.0 2.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.92 163.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -78.37 -105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -138.88 93.14 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.2 103.65 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.49 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.68 101.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -41.36 113.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -132.31 139.9 48.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.59 -155.55 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLY . 12.8 pt -117.75 -40.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 m 68.25 -67.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . 51.57 -165.04 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.87 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.4 t -67.57 -55.85 11.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m 62.41 82.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.92 146.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 p -65.26 91.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 -124.63 5.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -154.92 -57.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -129.33 125.14 36.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -165.26 37.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -120.36 138.03 53.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' LEU . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.701 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.701 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.683 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.7 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LEU . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.33 -24.47 16.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.3 mt -76.23 -10.85 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -151.68 81.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.83 5.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -40.46 112.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.11 -57.18 18.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.81 175.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.6 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -147.8 129.23 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.23 95.16 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 t -168.71 155.41 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.76 145.48 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.43 114.19 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -112.17 -58.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.65 153.85 22.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -94.04 157.68 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -125.62 167.95 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.02 157.63 15.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 m -164.47 114.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m 45.59 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.28 21.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 48.72 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 73.07 -66.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 157.23 8.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.46 143.43 45.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.641 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.641 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 HD12 ' A' ' 47' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.542 HH21 HD21 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 24' ' ' VAL . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 34' ' ' LEU . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.692 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 50' ' ' GLU . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.653 HD12 HD22 ' A' ' 17' ' ' LEU . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.493 ' C ' HD12 ' A' ' 55' ' ' LEU . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.54 -2.1 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 51' ' ' SER . 11.6 mt -93.08 -107.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -53.93 -18.69 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.41 -93.67 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -44.94 147.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.97 138.15 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.592 ' C ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.64 134.25 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -140.34 -93.52 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -163.41 102.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 t80 50.87 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.82 128.68 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -135.36 110.45 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -83.53 126.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 m -94.55 170.14 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.58 -162.6 9.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.6 124.28 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -83.08 -54.57 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.71 157.39 9.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.47 9.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 p 178.06 111.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -178.19 162.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.59 125.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.89 109.8 21.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 -140.14 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.1 145.55 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.95 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.72 78.82 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -160.05 140.99 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' CG ' HG23 ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.603 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 4.3 t-80 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.556 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HZ ' ' HG ' ' A' ' 44' ' ' CYS . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 47' ' ' LEU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.611 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 42' ' ' ALA . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD2' HG22 ' A' ' 29' ' ' VAL . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.4 -43.86 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -144.1 -113.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -152.61 98.25 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.11 -107.77 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.57 164.43 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.06 119.43 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 137.44 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD12 ' C ' ' A' ' 61' ' ' LEU . 1.4 pp -108.24 -18.94 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.94 127.79 33.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -126.99 130.96 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -115.59 91.98 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.51 163.78 21.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 133.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 135.1 12.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.79 -165.86 26.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.36 167.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.56 155.74 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.95 94.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 t -165.73 161.09 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 p 42.96 88.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.02 136.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 0.743 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.09 132.4 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 74.58 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -156.4 109.91 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -123.41 158.32 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.31 -105.32 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 158.33 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.58 ' CG ' HG23 ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 44' ' ' CYS . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 47' ' ' LEU . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.552 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 10' ' ' ASP . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.797 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.797 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG11 ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 24' ' ' VAL . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 -92.42 -27.42 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -109.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -70.31 58.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.11 -53.13 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -24.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.79 135.11 3.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.83 128.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 0.795 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -93.86 62.82 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 63' ' ' PHE . 43.5 t-20 -115.59 136.57 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.429 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -86.66 114.91 23.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.44 105.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.33 119.27 37.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.81 110.72 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.0 p -97.53 138.31 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.18 113.94 3.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 tt -113.63 -38.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -163.37 167.32 21.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.46 157.91 19.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.7 p -173.99 133.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 t -164.24 157.82 18.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.37 94.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -68.8 165.24 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.25 135.54 12.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.78 90.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m 67.09 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.24 100.57 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.44 159.43 15.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 14' ' ' LEU . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 47' ' ' LEU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' SER . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 52' ' ' THR . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -93.21 -25.3 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.5 mt -72.21 -12.09 61.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -152.99 90.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.68 -103.23 1.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.37 121.17 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.49 79.17 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.0 151.06 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.09 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -62.15 139.45 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -79.37 117.33 20.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.23 169.74 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -165.35 166.56 18.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.06 118.6 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.54 134.37 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.64 -88.3 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mt 61.34 96.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -74.87 166.88 22.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.99 157.21 15.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.08 32.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -124.79 125.6 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -39.4 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -148.53 95.13 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.04 130.71 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.16 -72.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -160.2 -60.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.18 106.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.86 153.25 22.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 63.81 157.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.647 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG23 ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 HG12 ' A' ' 24' ' ' VAL . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.46 -20.11 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 51' ' ' SER . 1.4 mt -90.09 -111.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -69.27 59.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . -143.5 114.81 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' GLY . 4.6 mt-10 -38.97 125.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.01 113.18 0.6 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.51 15.67 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.36 101.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m120 63.47 167.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 49.12 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -174.99 78.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 1.3 m-20 178.96 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 1.2 t70 78.96 -63.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 76.6 p -173.21 153.24 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.19 80.72 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.84 118.23 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.62 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 76.79 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m 62.97 130.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.6 t -160.3 -56.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -94.22 129.08 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 122.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.11 101.42 2.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.0 145.33 7.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 164.44 12.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 63.2 154.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.543 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 10' ' ' ASP . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.41 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.678 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.86 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.86 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 47' ' ' LEU . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.678 HG11 ' SG ' ' A' ' 32' ' ' CYS . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 43' ' ' CYS . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.62 ' OG ' HD12 ' A' ' 55' ' ' LEU . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.6 3.53 32.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD12 ' OG ' ' A' ' 51' ' ' SER . 6.5 mt -103.72 -101.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.7 -12.53 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.35 84.68 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.16 82.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.25 -135.79 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.33 178.29 6.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -99.33 -98.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.9 m120 60.16 111.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.2 170.59 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.17 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.81 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -178.39 156.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.5 t -102.55 -58.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.62 107.14 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 tt -118.66 161.56 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.5 p -112.1 165.78 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.9 95.29 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.13 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.75 142.42 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.5 p -125.0 163.54 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.84 100.31 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.06 100.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.95 146.05 1.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -164.44 90.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -76.99 125.33 29.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.04 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -88.69 142.39 27.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.577 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' LEU . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 40' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 HH21 HD21 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.699 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.706 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.546 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.33 -25.61 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -82.99 -106.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -48.66 -22.41 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.87 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.84 73.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.28 76.45 0.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.64 108.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.1 mt -131.27 -105.18 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 12.3 t30 72.78 158.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 76.8 m-85 -158.12 139.43 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 145.64 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.89 149.98 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.58 166.87 21.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m 62.86 142.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.65 -170.37 27.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -135.42 135.19 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 114.72 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.47 157.53 6.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.41 3.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -166.53 140.83 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 p -90.89 118.26 30.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.616 HG23 ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.706 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 32' ' ' CYS . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.571 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 47' ' ' LEU . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 24' ' ' VAL . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' OD1' HD13 ' A' ' 9' ' ' ILE . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.549 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 17' ' ' LEU . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.619 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.619 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.715 HG13 ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.715 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 9' ' ' ILE . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 47' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' HD12 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.702 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.702 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG23 HG12 ' A' ' 24' ' ' VAL . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.556 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.643 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ALA . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.655 ' CG ' HG23 ' A' ' 13' ' ' VAL . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' CG ' ' A' ' 10' ' ' ASP . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 47' ' ' LEU . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.558 HH21 HG21 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.69 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 47' ' ' LEU . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.561 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.657 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.561 HG11 ' SG ' ' A' ' 32' ' ' CYS . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 29' ' ' VAL . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.588 ' CG ' HG23 ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.42 ' OD1' HD21 ' A' ' 40' ' ' LEU . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.468 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' LEU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' HG11 ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.668 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.622 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.652 ' CG ' HG23 ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.652 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.647 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE1' ' A' ' 26' ' ' GLU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' SER . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.683 ' CG ' HG23 ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.683 HG23 ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 40' ' ' LEU . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 29' ' ' VAL . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.719 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 29' ' ' VAL . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.709 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.638 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.5 t60 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.643 ' OD2' HD11 ' A' ' 40' ' ' LEU . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.742 HD21 ' O ' ' A' ' 40' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' PRO . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' OD1' HD13 ' A' ' 9' ' ' ILE . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.742 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.633 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 t-160 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 40' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 24' ' ' VAL . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.583 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.828 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 42' ' ' ALA . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HG13 ' A' ' 29' ' ' VAL . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.644 ' CG ' HG23 ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.691 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.691 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.672 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' OE1' ' A' ' 50' ' ' GLU . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG22 ' CD2' ' A' ' 47' ' ' LEU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.83 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.83 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 42' ' ' ALA . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.708 ' CD2' HG22 ' A' ' 29' ' ' VAL . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' LEU . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.701 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.701 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.683 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.3 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.641 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.641 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 HD12 ' A' ' 47' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.542 HH21 HD21 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 24' ' ' VAL . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 34' ' ' LEU . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.692 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 50' ' ' GLU . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.653 HD12 HD22 ' A' ' 17' ' ' LEU . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.603 ' CG ' HG23 ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.603 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.7 t-160 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.556 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HZ ' ' HG ' ' A' ' 44' ' ' CYS . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 47' ' ' LEU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' ND2' ' A' ' 36' ' ' ASN . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' ND2' ' SG ' ' A' ' 32' ' ' CYS . 69.3 m-80 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.611 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 42' ' ' ALA . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD2' HG22 ' A' ' 29' ' ' VAL . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.58 ' CG ' HG23 ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 44' ' ' CYS . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 47' ' ' LEU . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.552 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 10' ' ' ASP . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.797 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.797 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG11 ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 24' ' ' VAL . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 14' ' ' LEU . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 47' ' ' LEU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' SER . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 52' ' ' THR . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.647 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.647 HG23 ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 HG12 ' A' ' 24' ' ' VAL . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.49 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.543 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 10' ' ' ASP . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.41 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.678 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.86 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.86 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 47' ' ' LEU . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.678 HG11 ' SG ' ' A' ' 32' ' ' CYS . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 43' ' ' CYS . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.577 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' LEU . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 40' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 HH21 HD21 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.699 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.699 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.706 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.546 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.6 131.05 46.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.41 -58.55 1.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.5 172.93 22.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.6 p -107.02 142.83 36.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 130.36 44.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.979 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.99 -147.38 17.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.72 144.92 42.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 0.773 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.1 mm -42.15 144.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.616 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -111.86 99.7 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.4 m-30 -56.17 -54.95 39.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -44.63 -38.27 4.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.616 HG23 ' CG ' ' A' ' 10' ' ' ASP . 66.5 t -76.96 -36.03 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.98 -55.52 16.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.9 t60 -42.33 -56.24 3.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -46.61 -39.0 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.1 mt -75.71 -51.95 11.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG2' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.64 -38.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -67.07 -49.46 64.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' LEU . 33.3 mttp -67.56 -39.56 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -126.84 70.82 73.98 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' CA ' ' O ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.03 -37.1 2.16 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.479 1.778 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.15 -41.14 97.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.706 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.1 t -57.64 142.97 76.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.706 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.94 119.49 5.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -47.55 -54.12 12.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.337 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.28 -43.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.4 t -70.5 -48.21 60.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' GLU . 94.0 t -49.66 -53.82 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 32' ' ' CYS . 1.1 t -44.94 -61.29 1.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.91 -27.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.8 t -78.26 -54.11 6.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 108.352 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.6 mmm -55.55 -50.5 69.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.3 mt -55.61 -19.41 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.24 -30.41 15.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -101.06 24.68 9.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.38 25.44 2.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.24 94.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.664 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -132.1 163.05 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.86 -74.82 0.51 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -63.65 -58.71 6.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.41 -29.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.442 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.7 t -87.62 -54.12 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 108.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 14.2 t -42.4 -50.33 5.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 48' ' ' SER . . . -54.96 -66.39 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 32' ' ' CYS . 64.2 t -47.58 -35.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.3 mt -70.48 -39.5 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' ALA . 25.1 t -61.11 -45.17 95.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -78.12 -36.12 48.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 46' ' ' VAL . 8.3 mm-40 -65.39 -54.22 31.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.508 ' O ' HD12 ' A' ' 55' ' ' LEU . 57.7 m -39.56 -60.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -48.33 -38.47 19.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -63.39 -34.28 77.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -91.38 -16.36 27.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -99.25 -110.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -42.57 -26.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.27 146.91 18.6 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 68.91 159.93 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.755 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.32 131.35 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.107 . . . . 0.0 110.95 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.413 ' C ' HD23 ' A' ' 61' ' ' LEU . 2.1 m-20 57.49 179.93 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -117.62 15.3 14.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.14 139.71 41.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -90.37 133.91 34.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.8 p -157.08 108.75 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -113.11 122.24 46.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -172.33 138.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.7 p -92.5 142.67 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.98 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.46 116.43 0.36 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.435 1.084 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -129.36 132.08 66.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 t -142.19 116.88 9.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.9 77.75 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -50.27 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m 56.32 103.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 t -55.5 158.73 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t 63.92 94.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.763 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.53 155.08 23.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.47 90.77 1.56 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -157.63 127.49 6.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 0.747 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m 58.47 95.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -43.4 -91.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 63.88 146.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.257 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.571 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.3 mm -46.25 142.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.0 t0 -110.45 100.76 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -61.55 -44.36 97.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -54.6 -38.76 67.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 69.1 t -78.02 -32.23 17.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -70.71 -56.42 6.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -40.45 -50.38 2.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.06 -46.23 82.63 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 47' ' ' LEU . 13.3 mt -62.37 -52.83 62.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.16 -34.11 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -72.41 -50.11 28.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' LEU . 21.6 mttm -66.92 -32.87 74.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 47' ' ' LEU . 98.4 m-85 -125.34 72.6 66.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.66 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.407 ' OE1' HD11 ' A' ' 55' ' ' LEU . 4.5 pt-20 -88.53 45.0 1.24 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.0 t -133.76 142.89 45.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.336 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.93 108.9 2.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.062 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 29' ' ' VAL . 6.1 tt0 -39.27 -54.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.8 -44.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.9 t -70.98 -45.44 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG23 HG12 ' A' ' 24' ' ' VAL . 74.2 t -52.79 -59.23 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -47.34 -52.97 14.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -34.97 63.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -39.52 72.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.242 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.8 mmm -69.13 -53.68 18.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HG ' HD11 ' A' ' 9' ' ' ILE . 12.4 mt -50.89 -23.49 2.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -85.41 -37.2 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -97.66 33.07 2.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.8 m120 44.83 31.39 0.66 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' OD1' HD13 ' A' ' 9' ' ' ILE . 17.9 m-80 59.74 85.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.549 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 1.2 m-80 -117.95 169.52 9.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -92.82 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.4 m-20 -73.69 -56.09 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.71 -29.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.431 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -80.06 -55.56 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 108.264 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 41.5 t -42.78 -48.77 5.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.266 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.14 -48.12 12.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' GLU . 47.1 t -78.3 -56.05 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 17' ' ' LEU . 9.8 mt -43.01 -28.09 0.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.3 t -75.07 -47.77 27.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.015 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.4 pt20 -78.44 -10.84 59.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -85.01 -57.75 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.24 -52.28 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.458 HG23 ' CD1' ' A' ' 56' ' ' TYR . 29.8 m -51.12 -46.87 62.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' GLU . 15.1 ttt180 -43.42 -39.77 3.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -96.94 -28.34 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.6 mt -72.76 -11.14 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.458 ' CD1' HG23 ' A' ' 52' ' ' THR . 89.9 m-85 -150.42 87.82 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.14 -58.79 0.15 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -152.35 74.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -157.82 -151.81 6.16 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -158.58 168.5 26.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.23 98.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -79.16 156.0 28.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -175.81 119.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.7 p -160.14 170.75 20.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.06 108.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -179.58 92.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 m 58.04 162.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.85 126.7 2.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.8 mt -139.29 138.08 40.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m 179.15 161.41 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.77 158.8 30.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -176.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.8 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.5 t -153.91 161.49 41.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t 66.5 158.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -151.09 167.95 26.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 0.753 . . . . 0.0 110.011 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -152.79 -58.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.06 178.42 21.5 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t 64.44 104.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.26 146.11 49.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.74 178.95 34.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 68.29 145.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.4 mm -42.16 144.53 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.619 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.2 t0 -110.64 100.98 9.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LEU . 12.0 m-30 -60.55 -55.18 36.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -45.63 -38.98 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.619 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.0 t -76.41 -33.88 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -69.3 -56.55 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -41.28 -54.33 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.61 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -47.41 -42.73 22.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD21 ' O ' ' A' ' 40' ' ' LEU . 14.1 mt -71.73 -51.44 22.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.82 -29.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' N ' ' C ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -76.08 -50.05 15.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' LEU . 23.8 mttm -69.3 -32.55 71.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 24' ' ' VAL . 48.2 m-85 -126.46 72.28 72.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -37.03 2.22 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -85.92 46.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.715 HG13 ' HD2' ' A' ' 25' ' ' PRO . 74.7 t -134.01 143.11 45.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.715 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.98 109.36 2.91 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 29' ' ' VAL . 8.1 tt0 -40.27 -54.57 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.77 -43.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 55.5 t -70.76 -45.57 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 26' ' ' GLU . 53.5 t -49.35 -58.46 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.3 t -44.5 -64.03 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -39.82 5.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -45.06 87.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 36' ' ' ASN . 7.0 mmm -65.31 -55.67 16.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.941 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 9' ' ' ILE . 31.8 mt -51.47 -22.39 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -86.07 -28.23 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.0 m-80 -107.34 24.49 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.7 t30 49.48 43.77 23.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.54 91.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.87 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.1 t-20 -127.18 161.8 27.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -92.71 -74.85 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -64.93 -53.6 43.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.87 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.43 -46.16 2.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -45.28 63.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.468 ' HA ' ' CE2' ' A' ' 21' ' ' PHE . 53.2 t -43.35 -66.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 108.285 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.05 -69.22 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' GLN . 53.0 t -40.37 -63.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 HD13 ' CD2' ' A' ' 21' ' ' PHE . 24.3 mt -40.46 -62.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.25 -38.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.963 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.0 mm-40 -83.1 -57.08 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.266 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -48.59 -49.96 34.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 110.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 54' ' ' TYR . 64.0 p -44.21 -66.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.987 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -38.68 -44.97 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.371 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -48.26 -46.25 35.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -91.18 -23.13 20.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -75.61 -11.97 60.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -156.24 90.38 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -179.52 -83.7 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.53 78.86 1.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -126.4 -126.87 2.99 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -128.59 158.74 37.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 0.726 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 45.86 68.92 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.353 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.51 154.87 47.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -57.97 97.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.62 105.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -155.25 110.52 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.03 111.84 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.63 165.23 11.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.015 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.94 -153.43 7.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.536 1.147 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.1 mt 54.88 86.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.0 p -132.28 124.2 28.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.34 -147.2 15.5 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 133.55 16.65 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.7 p -114.21 139.01 49.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.4 t -76.76 -58.47 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.114 . . . . 0.0 111.042 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -45.29 130.96 8.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -118.27 129.57 55.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.028 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.59 -161.5 37.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.73 -61.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.2 p -176.83 107.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.45 -132.51 42.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 62.97 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -42.81 143.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' VAL . 24.9 t0 -112.25 99.69 8.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.7 m-30 -56.82 -56.62 19.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -43.69 -40.56 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.682 HG23 ' CG ' ' A' ' 10' ' ' ASP . 73.1 t -75.16 -36.72 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD12 ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -65.42 -56.11 14.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 21.8 t60 -40.39 -58.8 1.45 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -47.0 -42.0 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD22 HD12 ' A' ' 47' ' ' LEU . 19.1 mt -70.6 -51.64 26.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' HD12 ' A' ' 14' ' ' LEU . 1.3 mtt180 -38.66 -44.59 1.01 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -62.54 -47.14 85.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.4 mttm -67.26 -39.02 86.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 54.5 m-85 -126.64 71.15 72.93 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.959 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.05 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 3.6 pt-20 -59.5 -35.12 73.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.702 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.5 t -63.12 143.08 97.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.702 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.0 108.85 2.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.1 tm-20 -39.23 -54.28 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.89 -42.99 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.3 t -72.66 -45.54 57.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG23 HG12 ' A' ' 24' ' ' VAL . 72.0 t -51.65 -56.02 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -42.04 -59.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -45.13 -33.24 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.556 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.6 t -69.0 -49.63 56.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 3.0 mmm -57.42 -54.36 47.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.4 mt -53.54 -20.97 5.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.18 -31.42 19.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -104.02 31.66 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.5 t30 43.32 49.45 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 48.72 92.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.643 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -130.41 161.59 31.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -92.87 -74.89 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.3 OUTLIER -65.79 -57.41 8.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 46' ' ' VAL . . . -40.36 -32.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.9 t -81.95 -56.93 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' SER . 14.5 t -41.92 -60.6 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.46 -42.81 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 42' ' ' ALA . 59.3 t -70.56 -53.87 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 14.6 mt -56.65 -18.24 11.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' CYS . 0.3 OUTLIER -79.91 -23.1 42.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.034 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -106.98 -32.45 7.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -63.37 -48.0 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.544 ' C ' HD12 ' A' ' 55' ' ' LEU . 95.4 p -50.04 -58.55 5.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 m -54.23 -19.19 4.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.3 -39.12 49.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -88.3 -22.95 23.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 51' ' ' SER . 1.4 mt -67.49 -105.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -68.52 61.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.73 -73.37 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.93 166.23 25.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 110.268 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.05 -145.53 41.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.57 144.47 13.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 0.755 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.6 mt -80.76 -105.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -129.39 99.18 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -89.61 -33.24 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.5 p -146.41 103.34 3.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.965 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -82.35 116.94 22.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.108 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -157.47 92.75 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.9 t -144.57 159.32 42.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.981 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.29 -175.72 21.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.2 pp -112.43 149.9 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.767 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.37 128.68 56.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.87 96.55 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -47.66 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.469 1.773 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.91 175.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -151.31 144.28 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.959 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -165.42 162.86 19.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.74 163.4 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.14 -120.77 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 t -174.53 93.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.767 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.63 116.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.006 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.65 86.96 0.53 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -169.72 135.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.307 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -46.36 144.49 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.655 ' CG ' HG23 ' A' ' 13' ' ' VAL . 40.6 t0 -115.44 100.48 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -59.35 -40.39 86.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.59 -39.2 76.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.655 HG23 ' CG ' ' A' ' 10' ' ' ASP . 84.2 t -78.88 -33.17 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -69.9 -58.16 4.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -40.17 -52.92 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.607 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -47.78 -47.43 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 47' ' ' LEU . 19.4 mt -71.05 -48.94 49.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.558 HH21 HG21 ' A' ' 29' ' ' VAL . 5.2 mmp_? -40.01 -29.21 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.436 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.7 mm-40 -78.17 -48.71 15.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.11 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 17.5 mttm -68.37 -40.88 81.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -127.2 70.49 75.36 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -37.13 2.2 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.24 -46.92 75.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.4 t -45.56 142.94 3.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.69 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -75.0 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -38.67 -54.1 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.61 -45.36 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.3 t -68.65 -49.86 60.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 47' ' ' LEU . 65.8 t -52.79 -50.22 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -43.18 -66.29 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.55 -36.97 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.561 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.8 t -66.64 -54.2 25.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.5 mmm -54.08 -57.28 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.7 mt -52.72 -23.24 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -82.11 -42.09 19.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -98.81 32.47 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 42.65 58.8 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 43.5 86.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.657 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -115.86 158.4 23.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.49 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' C ' ' N ' ' A' ' 43' ' ' CYS . 43.5 m-20 -66.74 -56.62 9.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.98 -29.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.443 ' N ' ' C ' ' A' ' 41' ' ' ASP . 4.9 t -79.65 -61.91 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.5 t -42.95 -53.34 4.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.289 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.23 -44.4 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.561 HG11 ' SG ' ' A' ' 32' ' ' CYS . 37.1 t -78.66 -57.72 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.596 HD21 HG13 ' A' ' 29' ' ' VAL . 75.3 mt -42.63 -28.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.9 t -73.44 -48.68 31.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 46' ' ' VAL . 5.9 pt20 -73.74 -39.14 64.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.55 -52.52 60.72 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 4.8 t -39.67 -58.13 1.38 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.7 m -52.03 -42.65 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.53 -30.89 63.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -96.23 -24.86 16.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.1 mt -75.73 -10.9 59.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -151.43 87.93 1.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.18 89.17 0.08 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 52.74 83.64 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 135.03 -174.77 20.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.431 1.082 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.56 162.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -129.27 64.74 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -134.3 159.37 41.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.06 101.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.7 m 66.29 158.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -133.24 138.05 46.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -92.06 151.12 20.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 p -141.74 166.87 23.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -104.79 -73.34 0.91 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mm 58.66 73.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.4 t -162.87 160.57 25.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.44 96.45 0.1 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 176.15 10.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 46.32 86.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 t -167.47 105.02 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.007 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.162 . . . . 0.0 111.026 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m -72.49 -58.46 3.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 110.023 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.6 p 40.54 79.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 74.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 p 46.25 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -58.28 155.14 12.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.2 -122.67 2.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 64.33 142.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm -43.0 143.57 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.588 ' CG ' HG23 ' A' ' 13' ' ' VAL . 36.4 t0 -110.31 98.37 7.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -58.49 -52.0 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -47.73 -41.87 23.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.8 t -73.79 -35.97 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -67.1 -57.97 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' ASP . 21.5 t-160 -40.41 -60.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.597 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.42 ' OD1' HD21 ' A' ' 40' ' ' LEU . 9.3 t70 -40.54 -41.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 20' ' ' LYS . 5.3 mt -77.8 -46.5 21.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -40.03 -29.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.43 ' N ' ' C ' ' A' ' 17' ' ' LEU . 3.9 mm100 -81.0 -47.44 13.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' LEU . 13.4 mttm -67.24 -40.39 86.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -126.7 70.94 73.13 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -38.13 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.48 -49.97 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.3 t -45.43 143.06 2.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -74.99 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.2 tt0 -43.88 -54.62 5.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.12 -47.41 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 44.4 t -65.84 -47.05 86.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.62 HG22 ' CD2' ' A' ' 47' ' ' LEU . 92.7 t -53.45 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.2 t -39.56 -66.56 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -39.74 -36.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.668 ' SG ' HG11 ' A' ' 46' ' ' VAL . 7.9 t -67.31 -53.38 30.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 108.287 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.4 mtp -53.22 -54.62 33.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.3 mt -55.28 -19.79 9.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -43.56 11.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -93.0 31.26 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 30.7 m120 42.48 56.6 3.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 45.05 87.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.868 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.9 OUTLIER -122.77 159.01 28.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' O ' HD21 ' A' ' 17' ' ' LEU . 2.3 tt -92.94 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' CYS . 3.6 m-20 -61.65 -55.12 33.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.58 -46.86 2.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.43 -43.1 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 108.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ASP . 38.6 t -48.79 -61.61 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.23 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.7 t -41.52 -43.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.62 ' CD2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -62.75 -54.02 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.08 -53.51 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 50' ' ' GLU . 16.9 pt20 -67.28 -42.07 84.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLN . 6.6 mm-40 -58.13 -53.8 54.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 44.7 t -39.45 -64.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.8 m -43.01 -42.55 3.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -40.11 78.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.5 m-85 -86.39 -23.79 25.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 2.8 mt -73.91 -11.35 60.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 55' ' ' LEU . 88.3 m-85 -150.57 90.94 1.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 159.09 -128.79 2.1 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.12 105.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.733 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.05 67.66 0.86 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.2 t0 179.66 167.63 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mt -74.52 -105.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t30 75.14 139.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.9 t80 53.87 170.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.91 157.24 22.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.47 167.32 20.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -168.34 158.67 10.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 t -161.54 166.83 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.78 121.59 0.74 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.7 mt -81.37 118.52 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.5 p -94.55 152.46 18.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.53 158.79 23.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.68 34.88 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.8 t -136.48 144.77 44.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.3 m -80.67 158.97 25.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -158.54 -58.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.31 154.21 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.47 -176.17 14.31 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t 62.35 130.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.992 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 p -154.32 141.42 19.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.17 -68.22 0.45 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.83 149.5 25.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -41.08 143.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.652 ' CG ' HG23 ' A' ' 13' ' ' VAL . 30.7 t0 -112.42 100.45 8.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.2 m-30 -58.81 -55.29 37.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -45.14 -38.3 5.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.652 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.2 t -77.5 -36.52 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.647 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.13 -57.12 8.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -40.7 -60.29 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -43.23 -40.57 3.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD21 ' O ' ' A' ' 40' ' ' LEU . 18.5 mt -72.74 -51.72 18.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE1' ' A' ' 26' ' ' GLU . 2.8 mtt180 -38.85 -57.64 1.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -48.3 -42.99 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.3 mttm -73.17 -38.27 66.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -126.64 71.11 72.92 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.97 -37.14 2.18 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.36 -43.06 87.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.696 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.6 t -54.27 143.06 46.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.696 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.01 110.45 3.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.494 1.787 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.647 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.9 tt0 -40.85 -53.96 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.274 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 56.1 t -69.39 -46.06 77.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.9 t -52.15 -54.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 t -43.3 -60.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -42.27 -42.5 3.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.7 t -63.48 -51.56 65.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 37' ' ' ASN . 7.7 mmm -56.06 -57.42 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' HG ' HD11 ' A' ' 9' ' ' ILE . 13.2 mt -51.37 -26.79 8.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.32 -43.5 23.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -93.25 19.02 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 33' ' ' MET . 13.4 m-20 52.37 64.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.64 88.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 109.247 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.916 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -127.26 152.2 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.602 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -90.66 -73.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -55.56 31.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.916 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -41.17 -49.22 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.8 t -63.34 -55.99 20.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 42.2 t -42.6 -57.55 2.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 108.343 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -41.13 -64.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 32' ' ' CYS . 84.4 t -55.61 -56.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 48' ' ' SER . 77.7 mt -40.37 -59.48 1.3 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.43 -43.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 50' ' ' GLU . 16.8 mm100 -82.14 -62.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' GLN . 2.4 mm-40 -38.96 -47.78 1.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' OG ' HG21 ' A' ' 24' ' ' VAL . 72.3 m -47.1 -62.63 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 55' ' ' LEU . 20.9 m -41.78 -56.17 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.36 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -42.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.268 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -88.74 -42.63 11.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 52' ' ' THR . 11.4 mt -144.82 -113.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -146.73 92.73 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.85 -104.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.87 121.31 5.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 110.256 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -112.34 70.79 0.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 p30 176.69 135.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 53.01 82.25 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -169.94 93.6 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.0 114.29 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.3 t -162.9 121.0 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -143.79 121.55 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -131.68 154.44 48.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.1 p -160.25 164.53 32.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.38 67.22 1.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.9 mm -131.04 148.32 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.6 p -153.35 171.84 17.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 171.48 97.1 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 168.33 25.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 m -137.66 158.75 43.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.99 111.76 11.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.065 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.54 1.15 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -110.62 166.45 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 0.784 . . . . 0.0 110.063 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 40.34 88.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.4 -87.25 0.87 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.16 91.84 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -173.71 135.98 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 110.032 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.68 82.24 1.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -145.39 152.54 40.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mm -45.7 141.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.683 ' CG ' HG23 ' A' ' 13' ' ' VAL . 27.9 t0 -112.33 102.58 10.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -63.31 -45.52 90.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -53.88 -39.78 66.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.683 HG23 ' CG ' ' A' ' 10' ' ' ASP . 81.8 t -77.52 -35.89 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -66.41 -55.12 17.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -43.93 -55.77 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 40' ' ' LEU . 15.4 t0 -46.58 -34.8 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.618 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.1 mt -83.48 -39.49 20.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.847 ' NH2' HG21 ' A' ' 29' ' ' VAL . 5.8 mmp_? -49.98 -31.22 12.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 20' ' ' LYS . 5.0 pt20 -72.77 -35.24 67.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' N ' ' HG2' ' A' ' 19' ' ' GLN . 29.4 mttm -82.25 -40.6 21.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 24' ' ' VAL . 26.8 m-85 -127.11 70.65 75.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.03 2.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -69.89 -42.16 73.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -47.91 143.04 6.67 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 115.0 4.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HG3' HD11 ' A' ' 14' ' ' LEU . 2.3 tt0 -44.5 -53.95 6.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.13 -44.44 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.1 t -69.64 -48.71 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG21 ' NH2' ' A' ' 18' ' ' ARG . 68.1 t -55.77 -56.25 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -41.78 -64.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -41.52 -36.28 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.442 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.1 t -66.9 -50.95 60.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 108.293 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 7.0 mmm -57.29 -57.77 11.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 14.7 mt -48.57 -27.06 2.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.96 -34.46 24.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -101.74 33.33 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 40.56 44.39 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.15 96.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.719 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -127.39 161.4 28.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.618 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.56 -73.93 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -67.38 -55.76 12.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.53 -34.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -80.17 -60.11 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.325 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.3 t -43.06 -57.87 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.54 -46.17 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 41.3 t -74.02 -56.56 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.778 ' CD2' HG22 ' A' ' 29' ' ' VAL . 62.7 mt -42.67 -28.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.3 t -73.43 -48.69 31.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.0 pt20 -73.82 -36.36 64.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 5.6 mm-40 -64.78 -50.26 67.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.493 ' OG ' ' CD1' ' A' ' 55' ' ' LEU . 4.1 t -42.94 -68.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.99 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.3 m -49.45 -24.36 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -69.86 -36.28 75.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -90.11 -17.28 27.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 ' CD1' ' OG ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -88.61 -110.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.03 -17.31 62.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 63.82 127.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.505 1.128 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.37 115.46 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.18 -59.2 0.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -59.97 154.09 19.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 0.791 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.24 -105.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.02 156.73 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -90.85 123.72 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.975 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.06 98.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 179.44 153.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.8 141.21 23.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.45 80.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.25 114.59 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mm -141.98 132.9 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.7 m -167.64 162.1 13.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.34 158.71 31.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -175.48 2.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 p -142.97 -55.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.54 170.88 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.2 p -56.81 142.29 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 110.01 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.51 121.59 44.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.94 -138.91 10.31 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -114.5 -58.29 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 110.005 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -130.63 103.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.24 101.56 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.9 150.59 35.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.709 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.23 144.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.638 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.4 t0 -111.8 100.13 8.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -59.43 -53.37 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -46.87 -37.96 9.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.638 HG23 ' CG ' ' A' ' 10' ' ' ASP . 68.8 t -78.19 -35.22 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD21 HH21 ' A' ' 18' ' ' ARG . 0.1 OUTLIER -67.33 -57.14 7.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.5 t60 -42.81 -53.21 4.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.628 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.643 ' OD2' HD11 ' A' ' 40' ' ' LEU . 9.1 t0 -47.6 -40.22 18.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.742 HD21 ' O ' ' A' ' 40' ' ' LEU . 54.2 mt -75.74 -49.46 18.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' PRO . 2.5 mtt180 -38.87 -53.58 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.329 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -51.56 -46.53 63.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 17' ' ' LEU . 31.8 mttm -70.08 -37.35 75.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -126.26 71.47 70.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -37.22 2.14 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.28 -42.89 87.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.7 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.0 t -54.38 143.04 48.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.7 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 114.87 4.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -42.79 -55.0 3.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.27 -47.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.3 t -66.29 -46.34 87.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' GLU . 75.3 t -51.39 -57.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -40.1 -63.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 ttp85 -41.85 -49.68 4.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -53.14 60.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 108.259 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ASN . 5.3 mmm -54.42 -61.17 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.709 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -43.68 -29.74 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.36 -44.11 30.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 33' ' ' MET . 71.4 m-80 -91.43 39.19 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 41.13 34.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' OD1' HD13 ' A' ' 9' ' ' ILE . 56.5 m-80 58.38 86.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.614 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -118.19 163.77 16.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.6 tt -92.76 -74.84 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' C ' ' N ' ' A' ' 43' ' ' CYS . 36.2 m-20 -68.91 -56.95 6.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.614 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -40.43 -29.89 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.8 t -82.1 -57.01 3.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 108.345 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 47.0 t -42.59 -52.4 4.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 108.276 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.47 -44.66 8.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 t -78.14 -57.46 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 mt -42.63 -28.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.428 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.4 t -73.46 -48.63 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.7 pt20 -74.2 -30.54 62.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' CD ' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -68.17 -51.33 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.6 m -39.56 -47.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 55' ' ' LEU . 28.6 m -59.63 -50.28 74.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -33.65 9.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 110.251 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -91.84 -35.13 14.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 52' ' ' THR . 8.3 mt -144.24 -111.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -151.05 95.55 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.4 ' N ' ' OG1' ' A' ' 52' ' ' THR . . . -85.48 -128.38 2.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.539 1.149 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.47 160.47 25.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -52.13 177.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.91 166.64 21.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -127.75 64.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.357 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -59.42 155.06 15.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 53.0 174.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 m 72.2 -60.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.38 153.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -91.6 155.32 18.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.5 m -129.35 118.73 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.46 81.61 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 69' ' ' ILE . 10.4 tt -98.94 63.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.59 121.35 43.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.62 113.9 3.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 80.47 2.44 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.3 m -97.33 -57.84 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 m -45.75 -58.42 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.76 84.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.022 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.97 111.53 24.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.77 86.71 0.37 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 p -172.93 113.99 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 t -86.96 143.45 27.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.965 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.62 -173.77 0.28 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.049 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 66.71 146.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.727 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.51 144.02 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.633 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.7 t0 -110.87 100.25 9.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -59.4 -54.97 40.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -45.57 -36.9 4.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.633 HG23 ' CG ' ' A' ' 10' ' ' ASP . 64.3 t -79.36 -35.06 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CD1' ' CG ' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.7 -54.45 22.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 3.5 t-160 -42.16 -58.17 2.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.565 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -46.8 -38.45 10.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 40' ' ' LEU . 27.2 mt -74.21 -52.1 13.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' CG ' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.85 -43.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.11 -48.47 81.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 17' ' ' LEU . 28.9 mttm -68.38 -39.04 81.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CE2' ' HB3' ' A' ' 47' ' ' LEU . 46.3 m-85 -126.88 70.78 74.19 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.93 -37.82 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.503 1.791 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -66.49 -45.49 79.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -49.9 142.94 12.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.687 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.96 112.04 3.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.3 tt0 -41.55 -54.68 3.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.79 -41.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 65.0 t -75.37 -45.24 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG23 HG12 ' A' ' 24' ' ' VAL . 99.0 t -54.95 -49.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -48.28 -60.96 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.3 ttt85 -41.95 -39.98 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.583 ' SG ' HG11 ' A' ' 46' ' ' VAL . 5.2 t -61.48 -48.91 78.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 5.9 mmm -58.21 -57.73 11.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 34' ' ' LEU . 12.1 mt -50.12 -23.7 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -87.1 -31.99 20.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 110.297 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.6 m-80 -103.76 33.67 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 p30 40.57 47.14 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 52.5 92.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.828 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -128.41 160.12 33.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.77 -74.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -54.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.48 -43.13 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.6 t -69.48 -57.66 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 108.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.3 t -43.0 -60.2 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 108.314 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.23 -48.98 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 42' ' ' ALA . 67.1 t -66.05 -60.12 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 HG13 ' A' ' 29' ' ' VAL . 22.9 mt -40.37 -55.05 2.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -40.66 -41.92 1.61 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 110.051 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' VAL . 32.4 mm-40 -87.27 -54.27 4.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -61.35 1.35 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 54' ' ' TYR . 19.4 t -44.07 -58.93 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.041 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.8 m -40.4 -44.74 2.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 110.469 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' NH2' ' O ' ' A' ' 59' ' ' GLY . 3.3 ttt85 -52.65 -43.58 65.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 51' ' ' SER . 4.2 m-85 -78.71 -24.79 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.041 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -84.48 -108.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -44.92 -24.98 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . . . 115.03 -56.39 0.5 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.25 -179.29 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 0.778 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' O ' ' NH2' ' A' ' 53' ' ' ARG . . . -42.23 112.36 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HB3' HD12 ' A' ' 61' ' ' LEU . 2.4 m-20 59.84 163.96 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 0.783 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD12 ' HB3' ' A' ' 60' ' ' ASP . 2.7 mp 64.19 120.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -155.31 120.89 5.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -136.01 157.13 47.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.6 p -83.6 125.01 31.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.12 158.83 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -123.12 165.93 16.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -174.85 164.8 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 138.93 102.43 0.55 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 9.7 pt -140.27 91.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -153.27 140.82 19.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -132.63 -146.92 5.71 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.536 1.808 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.0 t 63.09 128.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.046 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.2 m -120.73 -58.08 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.552 1.157 . . . . 0.0 110.994 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.46 161.33 37.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 0.789 . . . . 0.0 109.983 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 p -175.71 163.35 2.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.01 127.41 7.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.33 100.36 11.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.46 169.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 -144.97 5.91 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 64.89 136.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 0.74 . . . . 0.0 110.311 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.616 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.5 mm -43.3 144.5 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.644 ' CG ' HG23 ' A' ' 13' ' ' VAL . 21.7 t0 -111.19 99.47 8.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' LEU . 4.5 m-30 -58.21 -56.06 26.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -44.55 -38.78 4.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.644 HG23 ' CG ' ' A' ' 10' ' ' ASP . 61.3 t -76.86 -35.6 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -66.56 -55.66 14.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 5.8 t60 -40.0 -57.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.6 -44.04 26.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 HD21 ' O ' ' A' ' 40' ' ' LEU . 15.5 mt -69.08 -51.16 41.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.4 mtt180 -38.82 -45.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.82 -48.72 80.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' LEU . 20.3 mttm -67.29 -31.29 71.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.7 m-85 -126.31 71.76 71.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -37.56 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -86.31 48.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.691 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.8 t -141.9 143.05 27.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.691 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.86 3.2 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.551 1.816 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.8 tt0 -40.26 -55.37 2.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.93 -41.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 51.0 t -74.99 -45.64 42.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.59 HG23 HG12 ' A' ' 24' ' ' VAL . 98.3 t -52.22 -46.32 44.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -52.3 -64.25 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.018 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -41.61 -43.24 2.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -48.08 82.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 108.307 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 30' ' ' SER . 8.3 mmm -60.58 -57.97 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.616 ' HG ' HD11 ' A' ' 9' ' ' ILE . 21.8 mt -45.49 -27.11 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.75 -42.15 35.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' MET . 67.4 m-80 -92.73 25.23 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 45.77 51.35 10.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.32 92.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.752 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -133.58 161.37 34.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.152 . . . . 0.0 109.351 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.672 ' O ' HD21 ' A' ' 17' ' ' LEU . 1.7 tt -92.74 -64.88 1.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 43' ' ' CYS . 7.3 m-20 -77.55 -54.71 6.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.752 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.75 -29.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.428 ' N ' ' C ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -88.59 -51.6 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 108.294 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.4 t -42.7 -54.7 3.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.93 -57.43 5.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG13 ' OE1' ' A' ' 50' ' ' GLU . 91.3 t -57.84 -62.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.598 HD12 HD22 ' A' ' 17' ' ' LEU . 25.6 mt -40.37 -56.79 1.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 t -39.36 -47.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -79.91 -56.2 4.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' OE1' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -41.63 -44.1 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -65.95 -58.14 6.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.1 m -45.82 -25.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 51' ' ' SER . 9.0 ttt180 -80.37 -42.42 22.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 51' ' ' SER . 5.0 m-85 -82.99 -13.97 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.1 OUTLIER -77.96 -106.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.24 58.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.02 -56.78 0.1 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 65.11 138.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -178.95 -61.4 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -156.02 108.62 2.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -142.94 65.19 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -138.16 108.88 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -126.21 -41.14 1.93 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.976 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.9 p 176.22 138.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.997 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -91.03 118.46 30.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 175.25 131.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.16 154.09 36.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.18 -87.44 1.28 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.747 HG23 ' N ' ' A' ' 70' ' ' SER . 1.4 tt 44.57 -167.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.747 ' N ' HG23 ' A' ' 69' ' ' ILE . 3.9 m 60.2 150.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -177.69 -148.93 7.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 178.39 7.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 p -141.91 -53.67 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -151.44 123.51 8.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.448 1.093 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -167.7 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.32 84.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 132.92 49.88 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -109.52 -58.28 2.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -116.82 123.78 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.17 93.49 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.19 153.5 51.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 0.776 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mm -50.29 141.43 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 12.5 t0 -105.64 103.77 13.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.458 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.0 m-30 -67.8 -62.33 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' PHE . 9.0 pt20 -37.77 -44.96 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 69.2 t -72.27 -44.77 63.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -57.68 -56.68 18.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' ASP . 15.0 t-160 -41.39 -64.71 0.52 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' HIS . 10.5 t0 -40.27 -45.38 2.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LYS . 23.3 mt -67.86 -52.89 31.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 22' ' ' PRO . 0.0 OUTLIER -38.95 -46.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -57.22 -46.75 82.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 27.0 mttm -71.26 -37.85 71.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -126.38 71.44 71.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.09 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.99 -37.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.432 1.754 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.41 -49.99 56.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.291 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.697 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.2 t -44.09 143.11 1.93 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.697 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.02 107.58 2.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.486 1.782 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -38.73 -53.79 1.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -39.76 -45.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.8 t -68.4 -45.99 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG22 ' CD2' ' A' ' 47' ' ' LEU . 74.9 t -53.31 -56.21 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 t -39.37 -60.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 110.024 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -40.19 -44.19 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.5 t -61.7 -54.09 47.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 108.291 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 81.8 mtp -51.95 -56.56 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.0 mt -53.98 -25.76 22.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -85.61 -36.47 20.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.42 26.84 4.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 45.26 49.15 10.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.31 89.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.83 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.5 t-20 -131.79 159.76 37.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 tt -92.77 -74.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -59.45 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.83 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -61.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' ' 47' ' ' LEU . 4.9 t -49.17 -60.6 2.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.1 t -42.74 -56.19 3.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 108.313 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 42' ' ' ALA . . . -40.62 -67.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.3 t -56.21 -56.23 14.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.708 ' CD2' HG22 ' A' ' 29' ' ' VAL . 36.8 mt -40.35 -58.96 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 47' ' ' LEU . 2.2 t -39.31 -43.11 1.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' VAL . 71.9 mm-40 -82.48 -57.08 3.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -40.81 -52.82 2.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.514 1.134 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' TYR . 89.9 p -39.38 -66.96 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' TYR . 9.2 m -39.3 -46.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -46.01 -43.42 14.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' SER . 14.4 m-85 -94.82 -23.56 17.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.2 mt -76.18 -11.54 59.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' N ' ' O ' ' A' ' 52' ' ' THR . 98.8 m-85 -151.25 89.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.51 -63.88 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.445 1.09 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.45 111.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.62 120.0 2.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.92 163.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.78 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -78.37 -105.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -138.88 93.14 2.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.2 103.65 11.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.49 84.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 59.68 101.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -41.36 113.16 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.8 t -132.31 139.9 48.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.59 -155.55 1.59 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.555 1.159 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' GLY . 12.8 pt -117.75 -40.38 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.78 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 m 68.25 -67.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 69' ' ' ILE . . . 51.57 -165.04 1.05 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 99.87 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 40.4 t -67.57 -55.85 11.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m 62.41 82.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.997 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.92 146.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 p -65.26 91.41 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.36 -124.63 5.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -154.92 -57.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -129.33 125.14 36.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -165.26 37.58 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -120.36 138.03 53.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.272 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mm -49.42 142.28 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.674 ' CG ' HG23 ' A' ' 13' ' ' VAL . 31.2 t0 -111.87 102.16 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -63.1 -36.83 84.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -62.11 -41.81 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' CG ' ' A' ' 10' ' ' ASP . 87.3 t -78.09 -30.43 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -72.71 -53.48 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.6 t-160 -39.07 -43.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.6 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.92 -50.6 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 14' ' ' LEU . 10.6 mt -60.29 -52.57 64.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 18' ' ' ARG . 3.6 mmp_? -40.33 -29.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.4 mm-40 -82.04 -46.21 14.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.1 mttp -66.21 -36.55 83.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.523 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 88.6 m-85 -125.87 71.9 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.37 2.07 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -85.98 47.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.701 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -139.57 142.92 33.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.701 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.1 Cg_endo -75.05 110.64 3.15 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -40.62 -44.34 2.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.24 -41.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' PRO . 25.4 t -71.65 -50.26 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 91.6 t -46.5 -61.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' VAL . 1.1 t -39.36 -69.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -42.01 -36.64 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -68.4 -52.32 34.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 36' ' ' ASN . 8.4 mmm -60.89 -57.1 14.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 34' ' ' LEU . 17.0 mt -45.75 -31.99 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -77.4 -39.28 47.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.7 m-80 -93.65 25.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 m120 46.66 36.24 3.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.45 95.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.683 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -130.41 164.07 25.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -92.7 -74.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.79 -53.2 14.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.683 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -42.27 -31.63 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -83.32 -52.64 6.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 108.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.1 t -49.56 -49.71 45.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.77 -29.9 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 75.7 t -92.39 -57.77 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 14.0 mt -43.45 -27.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 1.6 t -71.34 -47.79 54.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' VAL . 4.3 pt20 -84.15 -4.53 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 46' ' ' VAL . 1.1 mm-40 -92.92 -59.85 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 55' ' ' LEU . 1.2 m -40.83 -54.83 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -50.47 -44.64 55.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -30.3 62.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.227 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -95.33 -24.47 16.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 51' ' ' SER . 3.3 mt -76.23 -10.85 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -151.68 81.2 1.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.01 -62.83 5.85 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -40.46 112.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.261 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.11 -57.18 18.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.81 175.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.6 -104.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -147.8 129.23 14.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -149.23 95.16 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.7 t -168.71 155.41 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.051 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.76 145.48 28.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -87.43 114.19 23.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -112.17 -58.41 2.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.65 153.85 22.5 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.0 tt -94.04 157.68 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m -125.62 167.95 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.02 157.63 15.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.83 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.68 98.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.937 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.2 m -164.47 114.01 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.002 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 m 45.59 88.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.76 118.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.28 21.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 48.72 95.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 0.789 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t 73.07 -66.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 157.23 8.55 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.46 143.43 45.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mm -40.77 144.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.641 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.9 t0 -112.3 100.38 8.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.2 m-30 -58.58 -56.34 23.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -44.3 -39.65 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.641 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.6 t -76.12 -35.66 29.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -67.31 -55.29 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -46.27 -52.3 12.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -52.67 -30.23 30.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD22 HD12 ' A' ' 47' ' ' LEU . 50.2 mt -83.86 -44.04 14.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.542 HH21 HD21 ' A' ' 14' ' ' LEU . 3.3 mtt180 -47.81 -48.51 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.325 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -53.65 -39.06 64.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -79.42 -37.94 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -126.51 71.32 72.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.517 1.798 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -66.2 -48.6 70.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 77.8 t -47.6 143.1 5.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.4 Cg_endo -74.98 110.21 3.08 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.502 1.791 . . . . 0.0 111.046 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.2 tt0 -40.26 -54.31 2.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.56 -44.93 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 54.9 t -69.75 -45.9 76.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 24' ' ' VAL . 69.8 t -52.46 -58.41 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.39 -65.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.82 -38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' SG ' HG11 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -65.29 -49.06 70.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 36' ' ' ASN . 78.7 mtp -56.45 -57.54 11.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HA ' HD23 ' A' ' 34' ' ' LEU . 10.5 mt -44.46 -34.56 2.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -40.54 62.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 33' ' ' MET . 70.9 m-80 -93.04 28.63 2.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 41.72 46.21 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.23 92.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.692 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -128.74 161.72 29.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' O ' HD21 ' A' ' 17' ' ' LEU . 6.1 tt -92.7 -74.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.27 -55.8 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.692 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.55 -34.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 46' ' ' VAL . 1.3 t -78.43 -57.06 3.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 108.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 16.8 t -43.03 -52.39 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.68 -43.25 8.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG12 ' HG3' ' A' ' 50' ' ' GLU . 54.9 t -79.42 -58.57 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.653 HD12 HD22 ' A' ' 17' ' ' LEU . 53.0 mt -42.84 -28.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.8 t -74.44 -48.13 29.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' VAL . 10.2 pt20 -76.24 -18.51 58.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.558 ' HG3' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -72.89 -60.8 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.493 ' C ' HD12 ' A' ' 55' ' ' LEU . 54.4 p -46.26 -46.59 17.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.6 m -56.99 -28.96 62.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -84.64 -41.34 16.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.54 -2.1 44.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 51' ' ' SER . 11.6 mt -93.08 -107.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -53.93 -18.69 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.41 -93.67 1.54 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -44.94 147.28 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 0.0 110.255 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -154.97 138.15 5.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.592 ' C ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.64 134.25 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 109.357 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.592 HD23 ' C ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -140.34 -93.52 0.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -163.41 102.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 5.9 t80 50.87 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.82 128.68 44.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -135.36 110.45 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -83.53 126.54 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.7 m -94.55 170.14 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.58 -162.6 9.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.1 pp -92.6 124.28 44.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -83.08 -54.57 4.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.987 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.71 157.39 9.7 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 176.47 9.89 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.536 1.808 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.3 p 178.06 111.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -178.19 162.35 1.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.59 125.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.89 109.8 21.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.53 -140.14 10.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.1 145.55 30.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 0.736 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.95 20.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.98 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.72 78.82 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -160.05 140.99 12.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 0.746 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mm -42.78 143.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.603 ' CG ' HG23 ' A' ' 13' ' ' VAL . 34.3 t0 -111.64 101.04 9.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -62.79 -40.28 96.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -58.45 -40.82 83.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.603 HG23 ' CG ' ' A' ' 10' ' ' ASP . 75.7 t -77.11 -32.16 19.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.89 -56.89 5.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 14' ' ' LEU . 2.7 t-160 -39.9 -57.05 1.67 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.632 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -45.53 -44.45 12.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD21 ' O ' ' A' ' 40' ' ' LEU . 11.8 mt -72.41 -49.89 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.556 HH21 HG21 ' A' ' 29' ' ' VAL . 5.0 mmp_? -39.76 -29.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 17' ' ' LEU . 1.5 mm-40 -77.3 -49.37 15.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' LEU . 35.0 mttp -68.42 -40.34 81.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' HZ ' ' HG ' ' A' ' 44' ' ' CYS . 68.0 m-85 -127.47 70.41 76.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -36.88 2.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.21 -49.1 73.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.713 HG13 ' HD2' ' A' ' 25' ' ' PRO . 75.7 t -43.06 143.04 1.36 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.713 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.2 Cg_endo -75.04 113.84 3.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.491 1.784 . . . . 0.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.1 tt0 -43.31 -54.16 4.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.45 -43.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 53.3 t -71.37 -46.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.643 HG22 ' CD2' ' A' ' 47' ' ' LEU . 93.8 t -52.01 -58.88 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.0 t -39.5 -62.11 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -39.35 -45.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' SG ' ' ND2' ' A' ' 36' ' ' ASN . 4.7 t -61.7 -50.72 71.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 108.309 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 30' ' ' SER . 87.9 mtp -56.53 -57.22 13.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.974 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 34' ' ' LEU . 12.3 mt -55.74 -21.2 17.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -87.6 -45.98 9.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' ND2' ' SG ' ' A' ' 32' ' ' CYS . 69.3 m-80 -93.05 27.79 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 43.44 62.49 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 42.71 89.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.611 ' CB ' ' HB3' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -119.28 151.2 38.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' O ' HD21 ' A' ' 17' ' ' LEU . 3.1 tt -91.79 -62.21 1.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 43' ' ' CYS . 1.2 m-20 -73.27 -61.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.611 ' HB3' ' CB ' ' A' ' 39' ' ' ASN . . . -41.06 -31.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' N ' ' C ' ' A' ' 41' ' ' ASP . 1.3 m -72.83 -67.29 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 108.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.42 ' HG ' ' HZ ' ' A' ' 21' ' ' PHE . 9.6 t -42.24 -40.83 2.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.13 -53.9 43.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 42' ' ' ALA . 46.0 t -72.83 -54.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.643 ' CD2' HG22 ' A' ' 29' ' ' VAL . 64.6 mt -42.46 -28.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.425 ' N ' ' C ' ' A' ' 46' ' ' VAL . 30.4 t -73.19 -48.76 32.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -73.94 -38.45 64.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.72 -49.73 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -42.48 -59.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ARG . 2.6 m -46.15 -56.45 5.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -38.06 -42.14 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.4 -43.86 11.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -144.1 -113.38 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -152.61 98.25 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -80.11 -107.77 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.57 164.43 28.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -114.06 119.43 4.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.29 137.44 20.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.767 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 HD12 ' C ' ' A' ' 61' ' ' LEU . 1.4 pp -108.24 -18.94 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.94 127.79 33.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -126.99 130.96 51.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -115.59 91.98 3.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.575 1.172 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.51 163.78 21.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.24 133.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 135.1 12.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.79 -165.86 26.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.36 167.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.771 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.56 155.74 24.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 174.95 94.36 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.465 1.103 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.39 14.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.791 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.0 t -165.73 161.09 17.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.0 p 42.96 88.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.02 136.22 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 0.743 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.09 132.4 45.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.77 74.58 0.86 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -156.4 109.91 2.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.733 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m -123.41 158.32 31.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.31 -105.32 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.27 158.33 4.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.325 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.9 mm -43.16 143.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.58 ' CG ' HG23 ' A' ' 13' ' ' VAL . 35.7 t0 -109.57 99.39 8.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -59.32 -52.46 65.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -47.5 -38.91 14.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 ' CG ' ' A' ' 10' ' ' ASP . 55.4 t -77.05 -36.14 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -64.87 -55.25 20.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 2.5 t-80 -46.02 -55.75 6.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.57 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -48.24 -27.69 2.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 40' ' ' LEU . 17.2 mt -89.87 -38.53 13.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -53.98 -36.33 62.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.414 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 10.2 pt20 -66.77 -41.58 87.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 21.1 mttm -75.78 -36.93 59.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 44' ' ' CYS . 35.6 m-85 -125.84 71.85 68.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.98 -5.77 33.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG11 HD22 ' A' ' 47' ' ' LEU . 2.1 t -89.42 138.35 28.56 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 128.48 11.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.9 tt0 -51.81 -55.39 20.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -38.41 -44.85 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 24.2 t -67.11 -49.18 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 26' ' ' GLU . 69.2 t -46.52 -58.03 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.6 t -40.52 -68.5 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.01 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -39.51 -41.21 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.552 ' SG ' HG11 ' A' ' 46' ' ' VAL . 6.7 t -66.86 -52.69 40.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.465 ' HE1' ' O ' ' A' ' 10' ' ' ASP . 8.0 mmm -59.4 -56.19 25.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.6 mt -51.03 -22.57 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -84.82 -43.63 14.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -95.19 28.23 2.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m120 43.39 62.54 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 42.87 87.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.797 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -126.0 156.73 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -92.84 -74.58 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.86 -58.71 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.797 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.42 -43.49 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 2.3 t -74.72 -51.67 13.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 108.322 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 35.0 t -42.57 -58.09 2.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.085 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.78 -69.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG11 ' SG ' ' A' ' 32' ' ' CYS . 73.8 t -41.86 -61.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD22 HG11 ' A' ' 24' ' ' VAL . 39.8 mt -40.45 -58.81 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 m -40.0 -44.81 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -79.71 -58.36 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 6.7 mm-40 -40.14 -50.81 2.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 54' ' ' TYR . 13.0 t -47.91 -62.75 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.9 m -48.63 -23.1 0.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -73.07 -33.89 65.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 110.307 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.4 m-85 -92.42 -27.42 17.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -109.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -70.31 58.26 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -112.11 -53.13 0.51 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -24.08 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.79 135.11 3.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -166.83 128.59 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 0.795 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -93.86 62.82 3.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' OD1' ' N ' ' A' ' 63' ' ' PHE . 43.5 t-20 -115.59 136.57 52.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.429 ' N ' ' OD1' ' A' ' 62' ' ' ASN . 0.7 OUTLIER -86.66 114.91 23.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.138 . . . . 0.0 111.006 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.44 105.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.33 119.27 37.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.81 110.72 22.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.0 p -97.53 138.31 35.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.18 113.94 3.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 tt -113.63 -38.67 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 0.79 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -163.37 167.32 21.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.46 157.91 19.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 141.81 27.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.791 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.7 p -173.99 133.28 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.0 t -164.24 157.82 18.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t 56.37 94.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -68.8 165.24 20.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.25 135.54 12.23 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.78 90.26 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m 67.09 134.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.24 100.57 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.44 159.43 15.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mm -41.14 141.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.642 ' OD1' HG23 ' A' ' 13' ' ' VAL . 13.0 t0 -105.19 103.21 12.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 14' ' ' LEU . 5.4 m-30 -67.28 -61.81 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 10' ' ' ASP . 7.8 pt20 -37.8 -45.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' OD1' ' A' ' 10' ' ' ASP . 71.2 t -71.74 -45.06 67.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -58.16 -56.89 16.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 14' ' ' LEU . 29.3 t60 -39.91 -58.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -49.78 -44.04 48.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' LEU . 63.0 mt -65.27 -53.06 49.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.85 -42.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.94 -50.03 70.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' LEU . 45.9 mttp -65.86 -34.51 78.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 78.2 m-85 -125.67 72.29 67.97 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -37.28 2.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.08 42.23 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 76.7 t -132.46 143.01 47.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.03 107.86 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HG3' HD11 ' A' ' 14' ' ' LEU . 3.7 tt0 -38.75 -54.05 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.56 -45.75 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 49.9 t -67.91 -46.21 82.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.508 HG13 HD11 ' A' ' 47' ' ' LEU . 76.1 t -53.04 -58.91 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.42 -62.5 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -45.22 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 t -59.87 -50.89 72.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 30' ' ' SER . 84.1 mtp -57.73 -57.37 13.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.7 mt -53.46 -22.96 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -80.02 -46.8 15.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -94.84 35.92 1.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 40.52 54.1 2.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 48.94 90.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.711 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -124.79 161.57 26.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.67 -74.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -64.94 -57.39 8.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.49 -33.26 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' SG ' ' CD1' ' A' ' 47' ' ' LEU . 6.3 t -76.48 -63.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.275 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' SER . 29.8 t -42.96 -49.21 5.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.01 -54.93 5.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' C ' ' N ' ' A' ' 48' ' ' SER . 80.6 t -71.87 -56.62 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 17.8 mt -42.8 -28.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.441 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.1 t -73.73 -48.49 31.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' VAL . 3.5 pt20 -74.54 -26.19 59.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' ARG . 14.4 mm-40 -74.01 -52.32 13.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -62.46 0.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.402 HG23 ' H ' ' A' ' 52' ' ' THR . 62.0 p -51.06 -34.82 31.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -60.84 -35.62 77.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -93.21 -25.3 17.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.5 mt -72.21 -12.09 61.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -152.99 90.06 1.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.68 -103.23 1.7 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -54.37 121.17 7.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.49 79.17 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.0 151.06 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 0.732 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.09 -102.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -62.15 139.45 58.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -79.37 117.33 20.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.23 169.74 9.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -165.35 166.56 18.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.32 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.06 118.6 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.54 134.37 17.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.64 -88.3 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mt 61.34 96.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 0.789 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 p -74.87 166.88 22.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -119.99 157.21 15.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 146.08 32.43 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -124.79 125.6 44.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.969 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.0 m -39.4 155.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.969 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -148.53 95.13 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.034 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.04 130.71 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.16 -72.73 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 p -160.2 -60.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.18 106.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.86 153.25 22.8 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 63.81 157.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 0.767 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.2 mm -44.08 142.31 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.647 ' CG ' HG23 ' A' ' 13' ' ' VAL . 25.5 t0 -113.33 100.49 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -57.5 -54.98 40.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -44.81 -39.2 5.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.647 HG23 ' CG ' ' A' ' 10' ' ' ASP . 71.9 t -77.05 -37.42 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.08 -55.2 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -47.95 -50.67 26.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.614 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD11 ' A' ' 40' ' ' LEU . 1.5 t70 -54.96 -25.16 27.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' LEU . 16.4 mt -88.57 -49.83 6.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -45.55 -47.8 14.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.493 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 6.5 pt20 -54.83 -45.8 74.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 48.0 mttp -71.02 -30.26 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.46 ' CE1' ' HB3' ' A' ' 47' ' ' LEU . 93.0 m-85 -124.08 73.8 57.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -33.47 4.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.451 1.764 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -86.87 43.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.3 t -141.44 143.2 29.1 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.698 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 108.64 2.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 29' ' ' VAL . 2.0 tm-20 -38.45 -54.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.92 -45.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 46.1 t -69.26 -45.05 80.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.472 HG23 HG12 ' A' ' 24' ' ' VAL . 55.6 t -49.94 -50.32 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' MET . 2.1 t -50.79 -60.54 2.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -39.02 -48.68 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.2 t -56.36 -50.73 70.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' SER . 3.9 mmm -57.25 -51.18 70.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 9' ' ' ILE . 14.7 mt -54.39 -20.35 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -95.25 -21.61 18.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -107.47 20.04 19.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 50.13 39.67 19.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.51 87.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.701 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 1.6 t-20 -134.59 160.26 38.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD11 ' CG ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -92.88 -74.8 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 43' ' ' CYS . 0.9 OUTLIER -59.27 -58.78 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.701 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -42.77 -28.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' N ' ' C ' ' A' ' 41' ' ' ASP . 6.8 t -88.75 -56.66 3.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 24.9 t -41.95 -57.8 2.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.14 -55.61 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.49 HG11 ' SG ' ' A' ' 32' ' ' CYS . 53.4 t -60.22 -59.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 22.0 mt -42.54 -58.68 2.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' LEU . 3.2 t -39.3 -32.91 0.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 46' ' ' VAL . 31.1 mm-40 -94.07 -51.8 4.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 2.4 mm-40 -49.1 -42.67 39.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' C ' HD12 ' A' ' 55' ' ' LEU . 3.0 m -47.13 -64.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -53.68 -22.19 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.453 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -66.18 -31.95 73.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -100.46 -20.11 15.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 51' ' ' SER . 1.4 mt -90.09 -111.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -69.27 59.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' GLU . . . -143.5 114.81 0.85 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' GLY . 4.6 mt-10 -38.97 125.83 1.54 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.01 113.18 0.6 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -119.51 15.67 12.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.36 101.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m120 63.47 167.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 49.12 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 t -174.99 78.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 1.3 m-20 178.96 113.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 1.2 t70 78.96 -63.49 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 76.6 p -173.21 153.24 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.19 80.72 0.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.84 118.23 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.62 173.56 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.91 76.79 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.5 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 68.7 m 62.97 130.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.6 t -160.3 -56.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -69.98 -58.79 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.009 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -94.22 129.08 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.64 122.97 5.54 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.11 101.42 2.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 0.79 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.0 145.33 7.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 164.44 12.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 63.2 154.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 HD11 ' HG ' ' A' ' 34' ' ' LEU . 3.8 mm -44.58 147.7 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.543 ' CG ' HG23 ' A' ' 13' ' ' VAL . 39.4 t0 -114.35 98.82 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -58.49 -48.02 82.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -50.97 -37.64 45.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG23 ' CG ' ' A' ' 10' ' ' ASP . 47.5 t -78.81 -34.6 17.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -66.25 -55.74 14.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.41 ' N ' ' HG ' ' A' ' 14' ' ' LEU . 11.9 t-160 -41.74 -57.85 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -46.44 -39.53 10.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' LYS . 20.1 mt -75.05 -49.48 19.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HG2' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mtt180 -39.1 -44.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -46.19 87.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 48.3 mttp -67.51 -39.25 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 47' ' ' LEU . 51.5 m-85 -126.87 70.91 74.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -37.92 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 4.4 pt-20 -65.66 -34.68 78.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.703 HG13 ' HD2' ' A' ' 25' ' ' PRO . 79.2 t -64.54 143.02 98.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.703 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -74.99 112.12 3.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.015 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -40.58 -55.0 2.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -39.75 -46.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 25' ' ' PRO . 42.4 t -67.81 -45.29 84.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' GLU . 86.5 t -51.35 -58.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.4 t -39.38 -61.43 0.79 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -39.73 -41.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.678 ' SG ' HG11 ' A' ' 46' ' ' VAL . 4.3 t -65.24 -51.03 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.282 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' SER . 82.1 mtp -56.43 -56.07 25.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.543 ' HG ' HD11 ' A' ' 9' ' ' ILE . 11.9 mt -52.99 -21.31 4.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -89.4 -32.68 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -98.3 15.25 25.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 56.6 t30 56.75 41.89 27.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.31 91.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.251 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.86 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.3 OUTLIER -130.45 159.07 38.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 tt -92.65 -74.78 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -55.68 29.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.86 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.46 -47.53 2.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.541 ' SG ' HD11 ' A' ' 47' ' ' LEU . 3.1 t -63.73 -55.83 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.9 t -45.96 -49.07 16.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 108.327 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.82 -37.65 19.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.678 HG11 ' SG ' ' A' ' 32' ' ' CYS . 66.0 t -84.75 -63.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.541 HD11 ' SG ' ' A' ' 43' ' ' CYS . 25.9 mt -40.97 -29.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 46' ' ' VAL . 2.0 t -68.06 -51.29 48.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' VAL . 9.3 pt20 -77.22 -36.66 54.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' OE2' ' CG1' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -57.46 -55.4 35.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.62 ' OG ' HD12 ' A' ' 55' ' ' LEU . 28.3 t -40.76 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -45.61 -28.86 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.405 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -69.47 -48.94 59.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -83.6 3.53 32.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD12 ' OG ' ' A' ' 51' ' ' SER . 6.5 mt -103.72 -101.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.7 -12.53 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -96.35 84.68 0.84 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 59.16 82.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -173.25 -135.79 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.33 178.29 6.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 61' ' ' LEU . 0.1 OUTLIER -99.33 -98.16 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.9 m120 60.16 111.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -99.2 170.59 8.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.17 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.995 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 174.81 99.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -178.39 156.7 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.5 t -102.55 -58.08 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.62 107.14 0.45 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 tt -118.66 161.56 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 92.5 p -112.1 165.78 11.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.9 95.29 0.1 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.13 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.75 142.42 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.5 p -125.0 163.54 22.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.84 100.31 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 0.721 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.06 100.17 1.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.95 146.05 1.25 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -164.44 90.87 0.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 p -76.99 125.33 29.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.35 113.04 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -88.69 142.39 27.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD11 ' HG ' ' A' ' 34' ' ' LEU . 4.0 mm -43.53 144.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.577 ' CG ' HG23 ' A' ' 13' ' ' VAL . 29.1 t0 -111.95 100.75 9.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' LEU . 13.4 m-30 -60.36 -56.66 18.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -44.39 -39.39 4.64 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.577 HG23 ' CG ' ' A' ' 10' ' ' ASP . 54.2 t -75.99 -37.22 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.706 HD11 ' HG3' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.71 -55.24 21.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -46.38 -53.67 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.656 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -50.88 -28.42 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 40' ' ' LEU . 41.1 mt -88.65 -34.73 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.252 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 HH21 HD21 ' A' ' 14' ' ' LEU . 1.7 mtt180 -57.45 -38.93 75.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.42 -38.62 91.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -77.66 -38.56 47.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.92 69.81 77.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -38.31 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.473 1.775 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 24' ' ' VAL . 5.9 pt-20 -64.83 -36.39 84.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.699 HG13 ' HD2' ' A' ' 25' ' ' PRO . 78.8 t -61.7 142.97 94.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.699 ' HD2' HG13 ' A' ' 24' ' ' VAL . 18.3 Cg_endo -75.02 111.67 3.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.706 ' HG3' HD11 ' A' ' 14' ' ' LEU . 1.3 tm-20 -40.79 -44.65 2.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 25' ' ' PRO . 2.0 p -44.28 -41.63 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 25' ' ' PRO . 46.4 t -73.0 -45.61 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 47' ' ' LEU . 91.6 t -51.7 -57.63 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 33' ' ' MET . 1.7 t -41.19 -64.31 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.57 -40.94 1.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.8 t -65.87 -50.03 65.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.289 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 30' ' ' SER . 83.5 mtp -57.02 -57.31 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 34' ' ' LEU . 11.9 mt -52.35 -23.92 6.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -84.53 -39.19 19.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -96.39 23.09 7.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 t30 47.84 59.01 4.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.01 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.816 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -130.87 156.68 44.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.546 ' O ' HD21 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -92.8 -74.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -57.18 13.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.816 ' HB3' ' HB3' ' A' ' 39' ' ' ASN . . . -40.44 -41.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' VAL . 3.7 t -72.6 -60.39 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 108.338 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 46.1 t -42.67 -57.53 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.297 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -40.78 -42.65 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' GLN . 70.1 t -78.45 -57.21 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 55.0 mt -42.57 -28.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 46' ' ' VAL . 3.0 t -73.48 -48.7 31.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.6 pt20 -73.98 -41.48 61.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ARG . 12.5 mm-40 -59.85 -51.02 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.53 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.0 t -39.74 -56.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 m -56.36 -38.7 71.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' GLU . 0.1 OUTLIER -58.03 -32.82 68.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.33 -25.61 19.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -82.99 -106.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -48.66 -22.41 0.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.5 -80.87 1.03 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 63.84 73.36 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.72 . . . . 0.0 110.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.28 76.45 0.87 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.64 108.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.1 mt -131.27 -105.18 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' PHE . 12.3 t30 72.78 158.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' O ' ' A' ' 62' ' ' ASN . 76.8 m-85 -158.12 139.43 13.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.07 145.64 56.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.89 149.98 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.58 166.87 21.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m 62.86 142.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -162.65 -170.37 27.39 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 111.059 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.4 mt -135.42 135.19 51.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.68 114.72 22.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.968 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.47 157.53 6.41 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.41 3.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.781 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -166.53 140.83 4.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 p -90.89 118.26 30.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 179.97 . . . . . . . . 0 0 . 1 stop_ save_