data_2dk1_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 2dk1 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.0 m170 -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.541 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.7 m170 -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.43 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 20' ' ' TYR . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.504 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.3 m170 -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.6 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.414 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.492 HG23 ' CD1' ' A' ' 20' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.657 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.413 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 20' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.689 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.8 m170 -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 10.0 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.408 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.648 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.422 HG21 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.8 m170 -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' HG21 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 13.9 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.409 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CD2' HD12 ' A' ' 13' ' ' ILE . 6.4 m-70 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.405 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 20' ' ' TYR . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.515 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.629 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.1 m170 -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.1 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.41 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CD1' ' A' ' 20' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.51 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.643 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.7 m170 -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.575 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.8 m170 -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.9 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 20.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.565 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 20' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.565 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.9 m170 -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 20' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CD2' HD13 ' A' ' 13' ' ' ILE . 3.6 m170 -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 14.1 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.6 m170 -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.9 m170 -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.3 m170 -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.672 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 20' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.5 m170 -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.0 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.423 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.662 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 20' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.662 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.6 m170 -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 6.4 tt0 -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.662 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.662 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.6 m170 -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.409 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.68 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 20' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.68 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.2 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.41 -59.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -132.23 158.82 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 129.52 12.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -94.0 147.39 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.41 161.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.11 154.82 26.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.478 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.0 m170 -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -68.2 -52.99 28.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 41.38 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.14 77.17 0.2 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 177.6 96.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -153.61 141.92 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.3 68.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 119.82 15.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m 52.61 68.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 t -145.87 161.24 40.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.85 53.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.87 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.0 t -77.36 110.37 12.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.5 p -91.39 154.72 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -149.47 139.19 21.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.49 136.61 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.29 -72.45 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 82.05 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.41 139.47 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 155.02 31.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.541 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.471 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.541 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.7 m170 -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 -51.6 166.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -149.57 -60.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.12 -78.09 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.82 100.46 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 pp -116.61 -43.67 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 137.95 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -81.71 123.06 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -64.97 114.31 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -52.28 110.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.8 -73.62 1.02 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.02 -58.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 -58.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -139.0 139.18 37.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -137.33 135.1 36.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -144.98 12.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.52 126.22 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -155.88 -56.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 155.25 11.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.65 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.65 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 -87.4 -72.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 67.64 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 96.06 -107.21 3.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.89 107.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 tp -137.6 -60.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -129.89 -61.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 122.95 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 t -130.36 150.48 51.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -135.34 75.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.8 -167.99 31.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -168.98 147.59 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.941 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -140.89 119.3 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -74.94 -59.83 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -121.32 167.98 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.86 -113.11 3.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -97.32 94.66 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 164.46 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.45 153.59 23.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' CD1' ' A' ' 20' ' ' TYR . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.504 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.693 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.3 m170 -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.455 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.456 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.6 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 -47.73 160.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -156.53 115.77 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.11 149.31 20.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.53 144.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp 62.86 142.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.44 166.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -61.22 111.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -44.4 -58.43 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.57 -82.65 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.61 11.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.1 p -146.12 137.77 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.31 171.99 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -99.67 155.58 17.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -76.93 95.46 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.49 171.6 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 107.82 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.71 129.98 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.32 154.98 19.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.414 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.657 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.492 HG23 ' CD1' ' A' ' 20' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.657 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 -37.73 155.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.76 -66.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.81 -82.29 0.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -49.34 108.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.26 113.29 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.09 136.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.64 128.08 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -54.37 -28.06 40.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.2 t -62.87 -57.62 10.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.88 97.83 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.7 4.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m 60.58 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.5 149.69 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.97 -57.8 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -88.7 99.86 12.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 61.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.34 114.12 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.86 -27.48 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.38 159.5 42.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.413 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.569 HG23 ' CD1' ' A' ' 20' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.492 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.689 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.8 m170 -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.569 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 10.0 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 -109.31 171.56 7.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -157.35 -44.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.49 -162.71 16.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.22 120.24 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tp -150.09 -65.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -129.36 155.25 45.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 66.73 70.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -130.15 136.44 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.64 -58.94 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.62 -152.98 24.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.89 39.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.24 100.09 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.944 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m 65.08 110.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 110.042 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.33 -57.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.42 109.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 112.88 24.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -154.74 120.86 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 152.44 7.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.648 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.422 HG21 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.648 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.8 m170 -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' CD1' HG21 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 13.9 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 -40.8 135.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -118.82 -38.34 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.94 63.27 1.0 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 59.91 112.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 34.0 tp -172.54 126.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 81.95 -65.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.97 84.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -93.79 147.11 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p -55.38 127.28 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.61 96.17 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -178.78 143.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -125.31 120.65 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 27.0 m -83.42 -52.92 6.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 70.12 -61.3 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -144.84 174.24 25.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.39 79.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -66.23 148.56 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.16 155.54 23.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.568 HD12 ' CD2' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CD2' HD12 ' A' ' 13' ' ' ILE . 6.4 m-70 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' GLN . 80.3 t80 -119.49 172.8 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 2.1 pt20 -164.18 118.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.67 120.48 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -168.17 123.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 4.5 tp 67.49 -70.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -165.66 163.71 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -54.57 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -165.22 133.14 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.87 138.43 23.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 -171.5 22.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.64 3.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.0 98.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -76.35 143.47 40.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 164.92 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.88 79.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 129.44 9.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.11 79.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.24 132.29 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.49 154.92 16.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' C ' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.629 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CD1' ' A' ' 20' ' ' TYR . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.629 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.1 m170 -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.1 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 -43.84 137.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -141.14 83.31 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.32 56.74 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -162.03 173.9 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -82.12 159.33 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.22 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.61 164.45 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -105.65 -19.09 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 86.5 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.02 -176.64 38.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.74 27.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 t -99.76 94.22 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 p 58.93 112.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -96.74 -58.31 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -100.5 89.55 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.53 86.62 0.45 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.37 -64.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -55.31 127.87 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.37 155.46 8.6 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.41 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.643 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CD1' ' A' ' 20' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.51 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.643 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.7 m170 -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' CD1' HG23 ' A' ' 14' ' ' THR . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 -37.45 145.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -140.21 81.73 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.76 -62.02 5.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.54 163.03 16.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.25 144.48 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.45 177.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp 53.38 76.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.9 m -108.81 -56.76 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 -74.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 72.98 -171.52 50.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.61 5.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -157.65 -55.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.8 t -106.94 -57.35 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.33 -59.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -153.33 119.66 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 -82.78 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 53.02 82.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -51.72 141.09 17.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 154.82 23.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.575 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.461 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.575 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.8 m170 -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.9 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . 20.4 t80 -48.87 -42.78 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 39' ' ' GLY . 11.8 tp60 66.79 -68.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 137.63 -134.46 6.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.55 164.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 39.4 tp -85.99 161.98 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' N ' ' HG ' ' A' ' 41' ' ' LEU . 2.4 tttp -53.01 -62.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.23 -75.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m 63.84 91.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -78.42 175.88 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.27 154.66 10.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.28 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.443 1.76 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 p -138.98 144.92 39.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.4 p -39.33 112.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.62 101.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 127.45 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 72.45 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -174.14 145.87 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -127.35 86.23 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 155.32 7.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.565 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.506 ' HB ' ' CE2' ' A' ' 20' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.565 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.9 m170 -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 -46.28 -60.55 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 50.08 59.88 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 37.89 -143.79 0.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.69 157.78 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -161.48 -60.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.99 89.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.6 173.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 43' ' ' LYS . 5.1 t 43.4 48.91 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 110.74 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.22 169.36 14.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -135.24 106.39 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -65.95 94.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.32 144.48 41.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.69 155.59 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.08 98.34 1.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.26 162.73 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.56 121.93 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.93 152.62 24.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' CE2' ' A' ' 20' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.577 ' CD2' HD13 ' A' ' 13' ' ' ILE . 3.6 m170 -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 14.1 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -44.33 166.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.01 71.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.65 156.69 24.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.84 88.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tp 51.9 85.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.55 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -128.0 104.08 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -106.32 153.33 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 p -110.18 108.36 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.54 111.21 0.72 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.11 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m 58.16 169.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -42.11 148.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.7 m 59.03 87.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 79.21 -55.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.963 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -120.61 6.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -110.86 -64.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.68 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.36 155.07 6.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.681 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.523 HG22 ' CD1' ' A' ' 20' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.681 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.6 m170 -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.523 ' CD1' HG22 ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' LEU . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -70.02 -45.65 66.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 40.72 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.8 96.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.15 154.02 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.15 -41.13 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 110.53 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -172.79 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.22 148.43 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.39 86.83 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 99.85 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -40.61 -58.22 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.47 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -52.96 145.85 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -90.13 134.47 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -163.39 9.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -68.01 147.74 51.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 137.49 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.57 154.3 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.574 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.574 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 3.9 m170 -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -93.42 -54.62 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 65.75 87.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -140.08 159.8 26.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 54.85 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp 65.54 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.4 67.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -72.75 -66.67 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -159.84 137.36 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -152.79 166.94 30.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.57 -144.37 16.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.07 19.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 p -157.6 91.98 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m 45.74 77.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -63.75 163.4 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 62.96 129.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 -136.22 6.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -89.99 101.13 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -127.09 144.64 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 155.16 39.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.627 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 4.3 m170 -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 -43.5 165.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -58.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.86 -58.77 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.13 108.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.96 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 114.09 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 -64.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 m 55.49 97.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t 61.26 80.01 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.2 -165.67 41.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.5 p 47.23 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -158.79 116.56 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.91 147.1 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -157.14 155.77 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.32 113.36 0.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.425 1.078 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.31 132.35 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -40.02 140.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.12 153.89 29.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.509 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.672 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 20' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.672 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.5 m170 -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.0 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.484 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 -43.87 153.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.21 92.14 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.85 -57.92 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -178.87 156.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tp -164.94 -71.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.28 132.2 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 158.65 19.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 m 40.46 88.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.08 142.39 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.57 96.97 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 89.24 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 t -159.88 -51.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t 60.79 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.03 123.11 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -50.47 146.03 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 177.0 28.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.07 85.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -132.61 -49.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.82 152.53 17.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.423 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.662 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.496 HG22 ' CD1' ' A' ' 20' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.662 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.6 m170 -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.496 ' CD1' HG22 ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 6.4 tt0 -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.9 -57.06 7.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 51.64 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.0 -68.85 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -160.59 110.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -157.53 -61.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.43 171.2 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.92 150.87 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 64.2 159.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.45 107.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.69 167.17 19.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.51 38.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -130.77 96.4 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t 60.24 163.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.51 -58.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.44 110.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 132.37 7.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 p -89.17 144.8 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.85 106.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 157.11 7.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 ' CB ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.662 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.662 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 6.6 m170 -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CD1' HG21 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.515 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 -41.4 -61.73 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 46.24 73.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.69 174.22 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.82 133.2 47.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -157.81 142.11 16.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 58.32 163.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.07 81.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' GLY . 11.9 m -90.51 -56.7 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m 65.72 -74.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 77.84 157.76 9.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 -58.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.46 133.57 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.26 152.71 35.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.52 176.16 48.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -151.98 90.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -110.26 -33.02 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.18 155.0 35.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.68 ' CD1' ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.423 ' CG2' ' HB3' ' A' ' 20' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.68 ' CD2' ' CD1' ' A' ' 13' ' ' ILE . 5.4 m170 -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.2 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.429 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.407 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 -48.33 167.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.42 94.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.42 118.81 6.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.88 163.86 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.8 142.59 46.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.17 87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 126.93 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 p -86.53 110.88 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 p -89.91 173.24 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.44 -84.65 1.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t 51.51 82.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 p 57.14 169.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.595 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.1 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.583 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.615 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.583 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.524 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' ND1' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.4 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.571 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' THR . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.606 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.585 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.5 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.452 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.597 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HG23 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.452 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.545 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.799 ' HA ' HD13 ' A' ' 13' ' ' ILE . 1.4 m80 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.584 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.584 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.5 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.501 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 18' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' THR . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.626 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.501 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.7 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.491 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.491 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 20.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.519 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' ' 18' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HB2' HG22 ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.716 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.506 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.675 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 14' ' ' THR . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.597 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.521 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.708 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.521 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.612 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.7 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 18' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' THR . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.601 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.527 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.2 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.539 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.583 HD11 ' ND1' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' THR . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.528 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.609 HD11 ' ND1' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.609 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.4 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.516 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.595 ' O ' HG23 ' A' ' 14' ' ' THR . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.586 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.1 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' HZ3' HG21 ' A' ' 14' ' ' THR . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.41 -59.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -132.23 158.82 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 129.52 12.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -94.0 147.39 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.41 161.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.11 154.82 26.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -68.2 -52.99 28.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 41.38 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.14 77.17 0.2 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 177.6 96.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -153.61 141.92 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.3 68.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 119.82 15.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m 52.61 68.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 t -145.87 161.24 40.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.85 53.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.87 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.0 t -77.36 110.37 12.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.5 p -91.39 154.72 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -149.47 139.19 21.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.49 136.61 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.29 -72.45 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 82.05 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.41 139.47 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 155.02 31.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.595 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.1 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 -51.6 166.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -149.57 -60.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.12 -78.09 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.82 100.46 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 pp -116.61 -43.67 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 137.95 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -81.71 123.06 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 44' ' ' THR . 13.1 t -64.97 114.31 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -52.28 110.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.8 -73.62 1.02 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.02 -58.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 -58.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -139.0 139.18 37.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -137.33 135.1 36.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -144.98 12.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.52 126.22 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -155.88 -56.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 155.25 11.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.583 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.615 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.615 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.583 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 -87.4 -72.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 67.64 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 96.06 -107.21 3.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.89 107.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 tp -137.6 -60.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -129.89 -61.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 122.95 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 t -130.36 150.48 51.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -135.34 75.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.8 -167.99 31.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -168.98 147.59 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.941 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -140.89 119.3 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -74.94 -59.83 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -121.32 167.98 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.86 -113.11 3.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -97.32 94.66 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 164.46 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.45 153.59 23.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.524 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.606 HD11 ' ND1' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.4 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 -47.73 160.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -156.53 115.77 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.11 149.31 20.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.53 144.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp 62.86 142.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.44 166.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -61.22 111.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -44.4 -58.43 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.57 -82.65 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.61 11.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.1 p -146.12 137.77 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.31 171.99 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -99.67 155.58 17.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -76.93 95.46 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.49 171.6 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 107.82 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.71 129.98 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.32 154.98 19.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.571 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' THR . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.606 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 -37.73 155.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.76 -66.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.81 -82.29 0.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -49.34 108.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.26 113.29 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.09 136.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.64 128.08 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -54.37 -28.06 40.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.2 t -62.87 -57.62 10.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.88 97.83 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.7 4.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m 60.58 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.5 149.69 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.97 -57.8 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -88.7 99.86 12.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 61.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.34 114.12 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.86 -27.48 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.38 159.5 42.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.585 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.5 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 -109.31 171.56 7.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -157.35 -44.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.49 -162.71 16.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.22 120.24 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tp -150.09 -65.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -129.36 155.25 45.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 66.73 70.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -130.15 136.44 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.64 -58.94 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.62 -152.98 24.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.89 39.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.24 100.09 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.944 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m 65.08 110.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 110.042 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.33 -57.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.42 109.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 112.88 24.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -154.74 120.86 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 152.44 7.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HG23 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.452 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 -40.8 135.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -118.82 -38.34 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.94 63.27 1.0 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 59.91 112.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 34.0 tp -172.54 126.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 81.95 -65.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.97 84.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -93.79 147.11 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p -55.38 127.28 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.61 96.17 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -178.78 143.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -125.31 120.65 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 27.0 m -83.42 -52.92 6.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 70.12 -61.3 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -144.84 174.24 25.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.39 79.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -66.23 148.56 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.16 155.54 23.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.545 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.799 ' HA ' HD13 ' A' ' 13' ' ' ILE . 1.4 m80 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.536 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' GLN . 80.3 t80 -119.49 172.8 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 2.1 pt20 -164.18 118.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.67 120.48 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -168.17 123.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 4.5 tp 67.49 -70.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -165.66 163.71 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -54.57 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -165.22 133.14 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.87 138.43 23.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 -171.5 22.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.64 3.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.0 98.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -76.35 143.47 40.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 164.92 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.88 79.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 129.44 9.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.11 79.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.24 132.29 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.49 154.92 16.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.584 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.584 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.5 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 -43.84 137.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -141.14 83.31 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.32 56.74 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -162.03 173.9 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -82.12 159.33 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.22 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.61 164.45 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -105.65 -19.09 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 86.5 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.02 -176.64 38.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.74 27.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 t -99.76 94.22 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 p 58.93 112.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -96.74 -58.31 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -100.5 89.55 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.53 86.62 0.45 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.37 -64.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -55.31 127.87 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.37 155.46 8.6 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 18' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' THR . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.626 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.501 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.7 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 -37.45 145.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -140.21 81.73 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.76 -62.02 5.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.54 163.03 16.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.25 144.48 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.45 177.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp 53.38 76.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.9 m -108.81 -56.76 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 -74.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 72.98 -171.52 50.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.61 5.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -157.65 -55.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.8 t -106.94 -57.35 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.33 -59.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -153.33 119.66 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 -82.78 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 53.02 82.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -51.72 141.09 17.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 154.82 23.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.491 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.527 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . 20.4 t80 -48.87 -42.78 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 39' ' ' GLY . 11.8 tp60 66.79 -68.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 137.63 -134.46 6.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.55 164.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 39.4 tp -85.99 161.98 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' N ' ' HG ' ' A' ' 41' ' ' LEU . 2.4 tttp -53.01 -62.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.23 -75.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m 63.84 91.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -78.42 175.88 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.27 154.66 10.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.28 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.443 1.76 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 p -138.98 144.92 39.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.4 p -39.33 112.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.62 101.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 127.45 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 72.45 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -174.14 145.87 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -127.35 86.23 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 155.32 7.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.519 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' ' 18' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HB2' HG22 ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.716 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 -46.28 -60.55 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 50.08 59.88 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 37.89 -143.79 0.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.69 157.78 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -161.48 -60.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.99 89.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.6 173.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 43' ' ' LYS . 5.1 t 43.4 48.91 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 110.74 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.22 169.36 14.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -135.24 106.39 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -65.95 94.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.32 144.48 41.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.69 155.59 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.08 98.34 1.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.26 162.73 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.56 121.93 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.93 152.62 24.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.506 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.675 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -44.33 166.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.01 71.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.65 156.69 24.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.84 88.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tp 51.9 85.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.55 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -128.0 104.08 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -106.32 153.33 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 p -110.18 108.36 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.54 111.21 0.72 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.11 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m 58.16 169.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -42.11 148.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.7 m 59.03 87.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 79.21 -55.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.963 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -120.61 6.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -110.86 -64.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.68 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.36 155.07 6.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 14' ' ' THR . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.597 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -70.02 -45.65 66.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 40.72 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.8 96.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.15 154.02 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.15 -41.13 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 110.53 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -172.79 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.22 148.43 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.39 86.83 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 99.85 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -40.61 -58.22 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.47 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -52.96 145.85 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -90.13 134.47 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -163.39 9.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -68.01 147.74 51.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 137.49 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.57 154.3 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.521 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.708 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.521 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -93.42 -54.62 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 65.75 87.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -140.08 159.8 26.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 54.85 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp 65.54 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.4 67.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -72.75 -66.67 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -159.84 137.36 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -152.79 166.94 30.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.57 -144.37 16.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.07 19.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 p -157.6 91.98 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m 45.74 77.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -63.75 163.4 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 62.96 129.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 -136.22 6.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -89.99 101.13 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -127.09 144.64 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 155.16 39.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.612 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.7 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 -43.5 165.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -58.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.86 -58.77 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.13 108.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.96 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 114.09 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 -64.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 m 55.49 97.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t 61.26 80.01 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.2 -165.67 41.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.5 p 47.23 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -158.79 116.56 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.91 147.1 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -157.14 155.77 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.32 113.36 0.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.425 1.078 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.31 132.35 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -40.02 140.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.12 153.89 29.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.601 HD13 ' HA ' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 18' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' THR . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.601 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.527 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.2 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 -43.87 153.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.21 92.14 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.85 -57.92 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -178.87 156.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tp -164.94 -71.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.28 132.2 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 158.65 19.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 m 40.46 88.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.08 142.39 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.57 96.97 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 89.24 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 t -159.88 -51.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t 60.79 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.03 123.11 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -50.47 146.03 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 177.0 28.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.07 85.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -132.61 -49.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.82 152.53 17.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.583 HD11 ' ND1' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' THR . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.9 -57.06 7.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 51.64 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.0 -68.85 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -160.59 110.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -157.53 -61.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.43 171.2 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.92 150.87 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 64.2 159.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.45 107.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.69 167.17 19.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.51 38.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -130.77 96.4 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t 60.24 163.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.51 -58.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.44 110.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 132.37 7.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 p -89.17 144.8 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.85 106.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 157.11 7.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.609 HD11 ' ND1' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.609 ' ND1' HD11 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.4 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 -41.4 -61.73 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 46.24 73.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.69 174.22 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.82 133.2 47.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -157.81 142.11 16.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 58.32 163.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.07 81.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' GLY . 11.9 m -90.51 -56.7 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m 65.72 -74.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 77.84 157.76 9.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 -58.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.46 133.57 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.26 152.71 35.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.52 176.16 48.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -151.98 90.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -110.26 -33.02 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.18 155.0 35.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.595 ' O ' HG23 ' A' ' 14' ' ' THR . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.586 ' HA ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 1.1 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' HZ3' HG21 ' A' ' 14' ' ' THR . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 -48.33 167.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.42 94.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.42 118.81 6.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.88 163.86 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.8 142.59 46.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.17 87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 126.93 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 p -86.53 110.88 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 p -89.91 173.24 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.44 -84.65 1.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t 51.51 82.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 p 57.14 169.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.5 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 5.0 m170 -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.595 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 13' ' ' ILE . 4.7 m170 -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.583 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.732 HD11 ' CD2' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.732 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.583 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.524 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.806 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.3 m170 -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.6 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.571 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.746 HD11 ' CD2' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.499 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' THR . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.8 m170 -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 10.0 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.452 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.756 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.8 m170 -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HG23 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.452 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 13.9 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.545 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.799 ' HA ' HD13 ' A' ' 13' ' ' ILE . 6.4 m-70 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.584 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 13' ' ' ILE . 4.1 m170 -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.584 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.1 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.501 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 18' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' THR . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.726 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.7 m170 -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.501 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.491 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.8 m170 -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.491 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.9 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 20.4 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.519 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' ' 18' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HB2' HG22 ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.716 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.9 m170 -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.506 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.675 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.6 m170 -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 14.1 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.572 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.749 HD11 ' CD2' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 14' ' ' THR . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.749 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.6 m170 -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.521 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.708 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.9 m170 -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.521 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.709 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.3 m170 -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 18' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' THR . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.764 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.5 m170 -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.527 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.0 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.539 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' THR . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.6 m170 -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 6.4 tt0 -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.528 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.809 HD11 ' CD2' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.809 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.6 m170 -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.516 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.595 ' O ' HG23 ' A' ' 14' ' ' THR . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.2 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.54 ' HZ3' HG21 ' A' ' 14' ' ' THR . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.41 -59.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.1 p -132.23 158.82 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.53 129.52 12.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -94.0 147.39 23.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.41 161.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.11 154.82 26.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.5 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.06 101.47 5.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.597 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.7 m95 -137.64 158.89 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.34 137.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -87.36 125.63 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.97 -141.76 4.46 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.8 mm -148.12 154.25 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 0.775 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.694 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 34.6 p -128.62 -167.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 8.5 t -43.3 133.72 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 84.9 -68.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.91 43.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -92.5 127.13 37.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 5.0 m170 -74.09 106.23 5.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.694 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 4.2 p90 -118.07 166.88 12.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -118.79 125.64 50.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.2 t80 -100.93 162.59 12.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.597 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -116.26 127.37 54.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.97 -28.08 18.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.5 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.12 -67.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.61 -37.88 2.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.89 53.11 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.78 173.48 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 82.3 p -150.91 150.56 31.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.002 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -163.72 146.05 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.265 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -77.99 -58.48 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -51.14 166.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.69 136.49 34.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.95 132.44 53.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.41 58.5 1.68 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -68.2 -52.99 28.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 41.38 85.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.14 77.17 0.2 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t70 177.6 96.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 tp -153.61 141.92 20.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 49.3 68.24 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 119.82 15.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m 52.61 68.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.362 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.7 t -145.87 161.24 40.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 110.024 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.85 53.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -41.87 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.0 t -77.36 110.37 12.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.5 p -91.39 154.72 19.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.045 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -149.47 139.19 21.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.49 136.61 46.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.29 -72.45 0.36 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 82.05 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.41 139.47 38.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 155.02 31.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.595 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -127.69 102.12 6.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.775 . . . . 0.0 110.291 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.8 m95 -137.15 168.33 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.36 134.94 12.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -84.93 123.38 30.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -141.55 4.63 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.712 HD13 ' HA ' ' A' ' 19' ' ' HIS . 35.9 mm -149.02 154.65 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.69 ' CG2' ' CD1' ' A' ' 20' ' ' TYR . 36.2 p -128.58 -167.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 24.2 t -43.08 135.62 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.455 ' CB ' ' O ' ' A' ' 15' ' ' SER . 1.9 tp10 82.89 -67.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 152.36 44.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.32 128.0 39.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.712 ' HA ' HD13 ' A' ' 13' ' ' ILE . 4.7 m170 -75.28 107.26 7.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.544 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.69 ' CD1' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -117.08 170.19 8.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 30.3 m-85 -120.57 128.37 53.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.3 t80 -104.07 169.05 8.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -126.36 126.38 43.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.56 -28.46 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.9 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -37.95 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.98 53.28 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.54 169.18 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.9 p -147.06 144.99 29.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -160.33 150.22 17.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 49.2 m95 -82.0 -58.2 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.9 mt-10 -51.87 166.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -92.66 124.33 59.2 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 124.34 8.54 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -45.27 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.82 -37.07 1.47 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 7.6 t80 -51.6 166.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -149.57 -60.35 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.12 -78.09 0.25 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -121.82 100.46 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.257 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 pp -116.61 -43.67 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.73 137.95 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -81.71 123.06 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 44' ' ' THR . 13.1 t -64.97 114.31 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -52.28 110.12 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.8 -73.62 1.02 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 177.37 8.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.02 -58.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.97 -58.56 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.958 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.444 1.09 . . . . 0.0 111.016 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -139.0 139.18 37.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 p -137.33 135.1 36.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.75 -144.98 12.76 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.52 126.22 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -155.88 -56.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.021 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.45 155.25 11.46 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.583 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.11 101.63 5.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.5 m95 -137.2 170.62 15.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 107.983 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.48 138.51 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -92.88 135.2 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.81 -140.1 3.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.142 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.732 HD11 ' CD2' ' A' ' 19' ' ' HIS . 33.4 mm -146.88 155.42 11.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.444 0.731 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.3 p -110.02 -167.51 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.423 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.06 -89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -36.87 -60.48 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.503 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.61 43.84 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -96.9 135.7 38.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.784 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.732 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -74.74 100.79 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.55 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -108.42 168.33 9.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 38.7 m-85 -124.29 134.99 53.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.0 t80 -112.44 164.77 12.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.51 128.49 53.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.77 -28.32 18.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.583 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.28 -66.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.335 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.7 -38.06 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.81 52.46 0.1 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.425 1.078 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.4 162.61 13.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.2 p -151.34 146.8 26.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -159.84 146.89 16.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.333 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -70.71 -48.37 54.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 107.989 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.57 167.99 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 1.7 ttmt -94.97 139.86 22.26 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.517 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.99 150.09 37.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 34' ' ' PRO . 41.1 tt0 -37.47 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.06 79.24 0.68 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.0 t80 -87.4 -72.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 67.64 -69.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 96.06 -107.21 3.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -65.89 107.6 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.3 tp -137.6 -60.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -129.89 -61.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 122.95 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.9 t -130.36 150.48 51.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.374 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -135.34 75.77 1.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 152.8 -167.99 31.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -168.98 147.59 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.941 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.6 m -140.89 119.3 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -74.94 -59.83 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.784 . . . . 0.0 110.051 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.4 p -121.32 167.98 12.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.86 -113.11 3.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.565 1.165 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -97.32 94.66 7.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 0.754 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.54 164.46 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.45 153.59 23.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.524 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -126.33 101.94 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.592 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 17.6 m95 -137.04 161.93 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.94 131.01 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -84.57 130.75 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.54 -134.14 3.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.806 HD11 ' CD2' ' A' ' 19' ' ' HIS . 29.6 mm -149.78 155.64 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.9 p -108.04 -167.56 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.9 m -46.73 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' SER . 10.2 mt-10 -38.04 -60.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.36 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -98.83 136.56 38.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.806 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.3 m170 -74.35 102.8 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.617 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -113.72 166.37 11.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 35.0 m-85 -116.81 128.93 55.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.2 t80 -106.02 164.73 11.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.592 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -119.59 127.02 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.93 -28.4 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.524 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.5 -67.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.56 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.09 53.22 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.84 170.43 8.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -149.85 145.86 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.6 tt0 -160.93 147.07 14.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -77.17 -53.91 7.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 26.4 mt-10 -57.14 170.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -100.05 121.3 54.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 123.45 7.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -38.71 111.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.51 -49.8 0.88 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 18.9 t80 -47.73 160.22 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -156.53 115.77 3.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.268 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.11 149.31 20.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.53 144.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 tp 62.86 142.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.44 166.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -61.22 111.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 m -44.4 -58.43 2.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.03 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.57 -82.65 0.76 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 128.61 11.6 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.1 p -146.12 137.77 24.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.31 171.99 7.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 p -99.67 155.58 17.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.776 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 p -76.93 95.46 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.026 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.49 171.6 8.47 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.76 107.82 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.71 129.98 40.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.32 154.98 19.31 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.571 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -130.77 101.81 5.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 0.731 . . . . 0.0 110.292 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.0 m95 -136.91 170.13 16.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -150.07 136.58 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.77 126.37 34.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.16 -138.67 3.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.746 HD11 ' CD2' ' A' ' 19' ' ' HIS . 29.8 mm -149.9 155.95 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' TYR . 27.8 p -106.53 -167.58 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.369 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.83 -83.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -41.45 -59.29 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.499 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.43 43.91 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.608 ' O ' HG23 ' A' ' 14' ' ' THR . 66.7 m-85 -97.53 135.19 39.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.746 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -74.57 102.39 4.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -113.19 159.57 19.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.418 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 33.5 m-85 -113.14 125.55 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.2 t80 -100.59 167.68 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -124.65 127.31 47.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.51 -28.61 18.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.01 -67.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.9 -38.25 2.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.28 54.01 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.59 168.93 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.6 p -150.1 150.06 31.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -163.68 150.43 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -79.56 -52.73 7.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 107.998 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.19 170.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -93.63 129.09 39.5 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.568 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -74.99 144.0 29.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 4.1 pt-20 -60.64 94.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 151.59 -51.05 0.52 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.47 1.106 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.0 t80 -37.73 155.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -115.76 -66.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.81 -82.29 0.35 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -49.34 108.53 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 tp -59.26 113.29 2.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.09 136.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -86.64 128.08 34.97 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -54.37 -28.06 40.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.2 t -62.87 -57.62 10.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -150.88 97.83 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 58.7 4.97 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 m 60.58 159.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.004 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.5 149.69 33.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.911 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -114.97 -57.8 2.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 0.77 . . . . 0.0 109.967 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -88.7 99.86 12.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.42 61.15 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.34 114.12 6.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 0.79 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.86 -27.48 8.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.38 159.5 42.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.09 101.71 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.0 m95 -137.53 167.47 21.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 108.038 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.35 141.94 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -92.17 128.38 37.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.21 -140.31 4.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.9 mm -149.34 155.7 8.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 18' ' ' TYR . 23.4 p -108.96 -167.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 16' ' ' GLU . 8.6 m -45.63 -89.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -37.2 -60.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.493 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.3 44.17 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 14' ' ' THR . 6.0 m-85 -95.58 135.55 37.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.8 m170 -74.91 102.72 4.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -114.41 159.62 20.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.471 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 25.7 m-85 -112.04 132.88 54.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.572 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.6 t80 -108.61 165.17 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.3 m-20 -120.62 127.53 52.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.84 -28.2 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.513 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.23 -67.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.84 -37.98 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.41 51.01 0.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.2 170.92 8.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 p -150.91 148.94 29.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.425 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 10.0 tt0 -163.79 149.78 11.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.272 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.425 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 42.9 m95 -79.67 -56.42 4.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 108.019 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.3 mt-10 -53.64 165.39 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 19.8 ttmt -92.12 131.4 35.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.495 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.98 145.98 32.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.56 1.821 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -69.5 59.99 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 169.42 39.94 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.471 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 2.6 t80 -109.31 171.56 7.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -157.35 -44.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 102.49 -162.71 16.66 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.22 120.24 40.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 tp -150.09 -65.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -129.36 155.25 45.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt 66.73 70.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -130.15 136.44 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.64 -58.94 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.62 -152.98 24.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 160.89 39.61 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.444 1.76 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.24 100.09 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 90.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.118 . . . . 0.0 110.944 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m 65.08 110.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 110.042 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.33 -57.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.42 109.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.54 112.88 24.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -154.74 120.86 5.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.78 152.44 7.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.1 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.452 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.07 101.38 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.256 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.611 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.0 m95 -137.57 171.98 13.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 108.004 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.52 123.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 53.0 tt0 -84.61 130.58 34.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.26 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.12 -139.04 3.63 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 19' ' ' HIS . 34.4 mm -148.67 160.17 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.493 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.9 p -116.58 -167.86 1.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -45.3 -85.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.956 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 3.8 mt-10 -38.05 -60.73 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 142.31 43.96 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -99.11 138.39 36.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 111.014 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.756 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.8 m170 -77.06 96.79 4.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CD1' HG23 ' A' ' 14' ' ' THR . 10.4 p90 -99.57 174.2 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -131.63 142.06 49.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.8 t80 -123.07 168.85 11.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.38 126.75 44.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.14 -27.91 19.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.452 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.32 -66.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.88 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.11 53.58 0.1 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -98.24 167.27 10.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 0.731 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.9 p -150.98 145.51 25.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 13.9 tt0 -163.02 150.76 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 27.4 m95 -78.5 -54.8 5.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 107.99 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.3 mt-10 -58.26 170.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -94.39 129.81 35.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -74.99 152.94 41.43 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -67.31 68.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -171.78 -59.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 2.8 t80 -40.8 135.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 0.736 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -118.82 -38.34 3.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.94 63.27 1.0 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.1 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 59.91 112.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 42' ' ' LYS . 34.0 tp -172.54 126.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER 81.95 -65.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.97 84.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -93.79 147.11 23.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 p -55.38 127.28 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.61 96.17 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.557 1.16 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -41.36 0.67 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 60.1 p -178.78 143.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 t -125.31 120.65 31.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 4' ' ' GLY . 27.0 m -83.42 -52.92 6.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 0.781 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m 70.12 -61.3 0.46 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -144.84 174.24 25.03 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.39 79.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -66.23 148.56 51.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.16 155.54 23.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.545 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.1 101.5 5.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 0.0 110.357 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.557 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 16.3 m95 -137.48 163.01 32.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 108.04 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.14 121.3 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 21' ' ' TYR . 15.9 tt0 -85.5 119.17 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.68 -147.59 7.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.528 1.142 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -147.39 150.14 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.347 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -129.05 -167.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.449 ' N ' ' OG1' ' A' ' 14' ' ' THR . 29.3 t -36.43 143.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.34 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.532 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 148.24 43.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.475 ' HB2' ' CG2' ' A' ' 14' ' ' THR . 5.6 m-85 -85.28 119.75 26.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.799 ' HA ' HD13 ' A' ' 13' ' ' ILE . 6.4 m-70 -75.01 104.59 5.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.589 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.536 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.4 p90 -118.16 163.2 17.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 32' ' ' GLU . 47.8 m-85 -121.71 129.84 53.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t80 -106.72 164.64 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.559 ' O ' ' CZ ' ' A' ' 22' ' ' TYR . 1.1 m-20 -120.93 128.78 53.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.66 -28.46 18.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.545 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.2 mp -36.6 -66.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.31 -37.57 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.45 53.2 0.1 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.49 167.09 10.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 0.802 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.2 p -145.73 151.58 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -161.15 151.32 17.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 25.0 m95 -78.91 -51.58 9.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 107.984 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -64.04 175.24 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' ' 34' ' ' PRO . 36.7 ttmt -92.93 140.33 23.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.518 ' HG3' ' CG ' ' A' ' 9' ' ' TRP . 18.2 Cg_endo -75.06 133.0 15.98 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.55 -45.54 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.5 74.3 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CG ' ' N ' ' A' ' 38' ' ' GLN . 80.3 t80 -119.49 172.8 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 37' ' ' PHE . 2.1 pt20 -164.18 118.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.67 120.48 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -168.17 123.98 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 4.5 tp 67.49 -70.59 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -165.66 163.71 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -54.57 -62.48 1.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -165.22 133.14 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.339 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.87 138.43 23.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.33 -171.5 22.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 74.64 3.93 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.527 1.804 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.0 98.34 1.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.4 t -76.35 143.47 40.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -60.54 164.92 4.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 0.799 . . . . 0.0 110.011 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.88 79.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.55 129.44 9.89 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.465 1.103 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.11 79.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.24 132.29 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.49 154.92 16.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.145 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.584 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.98 101.73 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 110.26 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.599 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.8 m95 -137.31 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.014 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.21 134.18 6.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -85.13 125.31 32.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.368 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.09 -137.12 3.64 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.487 1.117 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.659 HD13 ' HA ' ' A' ' 19' ' ' HIS . 33.6 mm -150.0 159.05 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -113.22 -167.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 1.7 m -44.8 -89.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.991 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 5.3 tp10 -37.38 -60.47 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.516 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.87 44.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -95.33 133.43 39.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 0.796 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.659 ' HA ' HD13 ' A' ' 13' ' ' ILE . 4.1 m170 -76.34 99.63 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -110.28 173.0 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 31.2 m-85 -121.71 125.09 45.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.583 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.6 t80 -98.47 169.82 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.032 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.599 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.35 126.21 42.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.25 -28.0 19.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.584 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -37.82 -67.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.09 -38.21 2.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.91 51.99 0.12 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.9 173.32 7.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 p -150.03 145.02 26.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.1 tt0 -160.13 150.68 18.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.424 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 47.4 m95 -83.14 -55.18 4.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 29.0 mt-10 -54.36 166.58 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -93.81 125.98 51.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.482 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.06 132.08 14.94 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -51.78 103.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.1 -40.39 1.48 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CE2' ' CE1' ' A' ' 21' ' ' TYR . 9.9 t80 -43.84 137.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -141.14 83.31 1.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.32 56.74 0.64 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -162.03 173.9 13.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 tp -82.12 159.33 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.22 -69.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -106.61 164.45 12.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.4 t -105.65 -19.09 13.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.34 86.5 2.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.02 -176.64 38.69 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 141.74 27.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.0 t -99.76 94.22 6.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 p 58.93 112.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.15 . . . . 0.0 111.015 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -96.74 -58.31 2.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -100.5 89.55 3.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.53 86.62 0.45 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.37 -64.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.742 . . . . 0.0 109.963 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 p -55.31 127.87 31.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.971 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.37 155.46 8.6 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.501 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.99 101.61 5.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.606 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 12.4 m95 -137.44 170.89 15.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.003 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -148.38 130.08 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 -85.46 131.84 34.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -142.16 -140.61 3.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 19' ' ' HIS . 33.2 mm -149.54 157.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 18' ' ' TYR . 19.3 p -112.62 -167.59 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.23 -88.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -37.39 -60.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.312 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.91 43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' O ' HG23 ' A' ' 14' ' ' THR . 87.5 m-85 -97.05 136.12 38.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.726 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.7 m170 -76.31 99.46 4.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.608 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -105.74 166.01 10.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -122.36 133.82 54.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.575 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.3 t80 -111.0 168.68 9.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.606 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -125.75 126.48 44.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.23 -27.54 19.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.501 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.87 -67.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.87 -38.12 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.86 54.45 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.32 170.76 8.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 0.779 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.1 p -151.12 142.96 23.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -163.67 151.97 13.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 30.2 m95 -79.84 -58.23 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.013 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 23.4 mt-10 -53.79 167.06 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -94.54 126.81 46.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.4 Cg_endo -75.01 149.37 36.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.503 1.791 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.63 100.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 37' ' ' PHE . . . 150.03 -60.04 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 3.9 t80 -37.45 145.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -140.21 81.73 1.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -51.76 -62.02 5.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -65.54 163.03 16.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.25 144.48 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.45 177.24 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp 53.38 76.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 46' ' ' GLY . 2.9 m -108.81 -56.76 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.412 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.62 -74.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 72.98 -171.52 50.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 179.61 5.9 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.1 t -157.65 -55.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.8 t -106.94 -57.35 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.999 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -144.33 -59.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.6 p -153.33 119.66 5.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.87 -82.78 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m 53.02 82.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 110.041 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 t -51.72 141.09 17.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.48 154.82 23.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.491 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.02 101.7 5.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 0.749 . . . . 0.0 110.268 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.607 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.1 m95 -137.33 161.44 36.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.57 130.57 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -84.67 113.73 21.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -122.39 -153.36 8.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.6 mm -145.92 150.98 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.2 t -128.74 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 14' ' ' THR . 0.9 OUTLIER -38.9 138.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 78.04 -66.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 149.72 43.91 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.4 m-85 -87.33 125.18 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.698 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.8 m170 -80.14 97.33 6.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.527 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.5 p90 -109.06 167.07 10.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -119.32 126.81 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 6.5 t80 -105.26 164.15 12.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.607 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -118.64 127.05 53.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.335 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.65 -28.17 18.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.82 -66.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -37.71 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.75 50.2 0.1 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.52 1.137 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB3' ' OD2' ' A' ' 23' ' ' ASP . . . -97.98 168.82 10.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.798 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.8 p -151.03 144.76 25.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 9.9 tt0 -159.0 146.4 17.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -75.44 -52.2 11.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 107.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 20.1 mt-10 -59.97 174.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.99 124.51 37.35 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 137.67 22.08 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.92 97.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 153.8 -51.02 0.48 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' GLY . 20.4 t80 -48.87 -42.78 37.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 39' ' ' GLY . 11.8 tp60 66.79 -68.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 37' ' ' PHE . . . 137.63 -134.46 6.99 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.55 164.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 42' ' ' LYS . 39.4 tp -85.99 161.98 18.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' N ' ' HG ' ' A' ' 41' ' ' LEU . 2.4 tttp -53.01 -62.58 1.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -65.23 -75.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.3 m 63.84 91.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.3 p -78.42 175.88 9.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.036 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 172.27 154.66 10.33 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.28 11.44 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.443 1.76 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.0 p -138.98 144.92 39.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.4 p -39.33 112.85 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.62 101.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.02 127.45 28.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.74 72.45 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -174.14 145.87 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.2 m -127.35 86.23 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.96 155.32 7.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.519 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -131.9 101.67 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.588 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.18 156.22 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.75 125.76 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 21' ' ' TYR . 32.2 tt0 -84.69 114.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -119.11 -152.24 9.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.716 HD13 ' HA ' ' A' ' 19' ' ' HIS . 25.0 mm -146.37 149.7 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.487 0.757 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' ' 18' ' ' TYR . 13.5 t -128.65 -167.02 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' THR . 15.6 m -35.9 145.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.966 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 69.16 -63.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 147.51 44.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.598 ' HB2' HG22 ' A' ' 14' ' ' THR . 3.9 m-85 -84.51 124.92 31.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 0.783 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.716 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.9 m170 -78.94 100.14 7.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.0 p90 -115.53 148.47 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 11' ' ' GLU . 74.1 m-85 -104.42 127.76 52.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.558 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 10.1 t80 -106.13 162.79 13.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 111.002 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.588 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -116.64 129.49 56.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.15 -28.51 17.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.519 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.1 mp -37.0 -66.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.42 -37.78 2.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 130.27 52.89 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -96.93 163.18 13.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.4 p -144.72 149.63 35.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -163.24 149.92 12.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -77.57 -57.24 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 107.979 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.79 173.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 7.3 ttmt -86.07 134.21 39.41 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.564 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 120.38 6.04 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -46.9 103.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.28 -33.29 2.38 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 11' ' ' GLU . 24.0 t80 -46.28 -60.55 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 50.08 59.88 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 37.89 -143.79 0.22 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -68.69 157.78 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -161.48 -60.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.99 89.19 0.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' C ' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -57.6 173.68 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 43' ' ' LYS . 5.1 t 43.4 48.91 6.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 110.74 14.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.22 169.36 14.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.89 3.43 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -135.24 106.39 6.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 m -65.95 94.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.32 144.48 41.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 0.764 . . . . 0.0 110.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.69 155.59 17.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.08 98.34 1.37 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.26 162.73 34.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.56 121.93 2.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.979 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.93 152.62 24.97 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.513 1.133 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.506 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -131.94 101.55 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 110.271 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.21 164.74 27.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 108.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.56 135.58 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -90.65 116.6 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.88 -152.39 8.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.675 HD13 ' HA ' ' A' ' 19' ' ' HIS . 34.8 mm -145.83 151.66 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.0 t -128.69 -167.89 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -40.36 134.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 15' ' ' SER . 3.9 tp10 82.72 -69.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.5 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 154.3 43.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.552 ' HB2' HG22 ' A' ' 14' ' ' THR . 4.7 m-85 -87.11 124.43 33.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.675 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.6 m170 -81.63 94.24 6.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 4.3 p90 -104.93 169.68 8.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -122.5 127.7 49.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 8.6 t80 -105.83 164.77 11.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -119.76 127.48 52.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.69 -28.08 18.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 109.262 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -36.97 -66.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.34 -37.67 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.976 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.64 53.14 0.1 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -99.14 167.37 10.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 0.787 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.7 p -150.57 144.97 25.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 14.1 tt0 -162.22 151.37 15.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -80.12 -53.93 6.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 107.982 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 17.6 mt-10 -58.07 169.2 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmt -96.15 127.98 38.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.529 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.04 151.57 39.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.63 71.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . -174.28 -55.42 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -44.33 166.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.01 71.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -90.65 156.69 24.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -177.84 88.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tp 51.9 85.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 49.55 90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -128.0 104.08 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -106.32 153.33 22.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.1 p -110.18 108.36 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -140.54 111.21 0.72 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.534 1.146 . . . . 0.0 110.965 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.11 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 m 58.16 169.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.0 m -42.11 148.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 3' ' ' SER . 66.7 m 59.03 87.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 2' ' ' SER . 0.3 OUTLIER 79.21 -55.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.963 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.49 -120.61 6.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -110.86 -64.72 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 110.022 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.68 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.36 155.07 6.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.572 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -131.94 101.72 5.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.324 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 14.3 m95 -137.24 164.19 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.12 138.41 37.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -94.85 135.88 35.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.331 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -145.99 -142.7 3.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.749 HD11 ' CD2' ' A' ' 19' ' ' HIS . 30.8 mm -147.23 152.08 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 18' ' ' TYR . 32.0 p -102.91 -167.39 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.77 -78.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.94 -58.75 2.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.489 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.73 43.73 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.582 ' O ' HG23 ' A' ' 14' ' ' THR . 65.5 m-85 -98.51 134.11 41.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 0.726 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.749 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.6 m170 -73.76 95.0 2.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 7.9 p90 -100.7 161.07 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -122.55 135.77 54.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 2.3 t80 -115.91 158.94 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.604 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -110.23 127.93 55.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.22 -28.73 17.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.572 HD11 ' H ' ' A' ' 8' ' ' ARG . 2.9 mp -36.5 -66.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.16 -37.55 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.962 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 130.54 51.41 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 23' ' ' ASP . . . -93.54 171.75 8.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 0.76 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -151.06 146.24 26.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -163.54 143.61 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -72.86 -58.1 3.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 0.0 107.997 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.97 164.01 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -88.82 136.32 30.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.02 146.48 32.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.504 1.792 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.28 139.37 19.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.7 53.08 2.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -70.02 -45.65 66.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 40.72 83.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -162.8 96.89 0.14 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.15 154.02 12.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -43.15 -41.13 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.344 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.92 110.53 5.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -172.79 -59.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m 56.09 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.435 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.22 148.43 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.048 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.39 86.83 0.42 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 99.85 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -40.61 -58.22 1.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.47 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.177 . . . . 0.0 110.028 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -52.96 145.85 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 110.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 m -90.13 134.47 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.15 -163.39 9.51 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.14 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 m -68.01 147.74 51.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.742 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.75 137.49 52.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.57 154.3 16.96 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.521 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.14 101.59 5.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.27 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.4 m95 -137.58 158.28 44.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 107.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.66 134.5 38.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -87.09 118.8 26.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.54 -154.63 8.67 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 19' ' ' HIS . 28.3 mm -143.84 151.06 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.602 HG22 ' HB2' ' A' ' 18' ' ' TYR . 10.8 t -128.77 -167.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.408 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' CB ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -38.9 136.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 80.35 -69.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.512 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 153.48 43.48 0.02 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 14' ' ' THR . 6.2 m-85 -86.82 123.6 32.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 0.738 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.708 ' HA ' HD13 ' A' ' 13' ' ' ILE . 3.9 m170 -79.1 99.18 6.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.613 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 3.3 p90 -112.68 166.75 11.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -117.56 130.48 56.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.574 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 11.3 t80 -105.89 167.34 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -123.39 126.63 47.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.61 -27.67 18.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.521 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.37 -67.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.58 -37.84 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.021 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.72 53.94 0.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.23 171.58 7.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.764 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.7 p -149.83 148.56 29.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -163.07 148.33 11.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -78.93 -63.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 108.024 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.97 168.59 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -87.56 132.47 40.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.1 Cg_endo -75.0 143.08 28.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -68.42 67.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' PRO . . . 150.68 44.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -93.42 -54.62 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 65.75 87.48 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -140.08 159.8 26.16 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.504 1.128 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.7 t70 54.85 102.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tp 65.54 122.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.4 67.65 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -72.75 -66.67 0.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -159.84 137.36 9.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.8 p -152.79 166.94 30.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.57 -144.37 16.41 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 136.07 19.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 p -157.6 91.98 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m 45.74 77.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 O-C-N 124.461 1.101 . . . . 0.0 111.039 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -63.75 163.4 11.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.027 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.7 m 62.96 129.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 -136.22 6.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.2 m -89.99 101.13 13.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 t -127.09 144.64 50.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.18 155.16 39.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.0 101.66 5.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.609 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.6 m95 -137.31 165.17 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.23 126.9 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 tt0 -84.53 124.8 31.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.34 -134.91 3.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.709 HD11 ' CD2' ' A' ' 19' ' ' HIS . 34.0 mm -150.2 163.16 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.548 0.793 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.465 HG23 ' CD1' ' A' ' 20' ' ' TYR . 34.3 p -118.11 -168.06 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.446 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -84.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -39.24 -60.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.521 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.83 44.09 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -98.58 137.24 37.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.709 ' CD2' HD11 ' A' ' 13' ' ' ILE . 4.3 m170 -77.9 98.64 5.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.597 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' HG23 ' A' ' 14' ' ' THR . 5.3 p90 -109.22 170.22 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -120.55 132.73 55.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 16.2 t80 -108.85 169.82 8.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.609 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -127.16 125.86 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.59 -27.74 18.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.523 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.5 -67.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.81 -37.93 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.85 54.32 0.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.19 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 71.5 p -151.19 142.16 23.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 11.4 tt0 -161.76 149.98 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.419 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 54.7 m95 -79.37 -56.38 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 107.959 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 8.8 mt-10 -54.69 167.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -95.67 122.78 58.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.531 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.97 136.18 20.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -46.44 118.6 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.32 -55.24 0.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 14.0 t80 -43.5 165.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.29 -58.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.86 -58.77 0.65 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.13 108.41 1.69 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.96 -65.09 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 114.09 8.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 -64.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.8 m 55.49 97.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 110.398 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.3 t 61.26 80.01 0.23 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -87.2 -165.67 41.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 94.9 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 110.968 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.5 p 47.23 85.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.991 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 p -158.79 116.56 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -119.91 147.1 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -157.14 155.77 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.32 113.36 0.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.425 1.078 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.31 132.35 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -40.02 140.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.12 153.89 29.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.19 101.07 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.51 ' HB2' ' CD1' ' A' ' 37' ' ' PHE . 16.1 m95 -138.19 162.2 34.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 107.999 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.79 132.37 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -84.36 128.1 34.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.366 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.38 -136.03 3.44 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.764 HD11 ' CD2' ' A' ' 19' ' ' HIS . 30.9 mm -150.14 154.46 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.469 HG23 ' O ' ' A' ' 18' ' ' TYR . 42.4 p -106.84 -167.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.431 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -46.67 -87.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.019 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' SER . 21.8 mt-10 -37.98 -60.15 0.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.508 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 146.51 44.04 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.469 ' O ' HG23 ' A' ' 14' ' ' THR . 47.7 m-85 -98.28 135.66 39.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.746 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.764 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.5 m170 -73.62 103.2 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.657 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.417 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 6.0 p90 -112.41 165.45 12.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -116.79 129.41 56.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' CG ' ' N ' ' A' ' 23' ' ' ASP . 19.5 t80 -102.94 169.81 8.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.153 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.566 ' N ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -126.48 124.32 39.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.359 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -91.07 -28.68 17.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.527 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.5 mp -35.69 -66.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.22 -37.63 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 43.25 0.21 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -90.9 174.53 7.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 t -151.04 146.76 26.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 11.0 tt0 -163.11 148.26 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 25.5 m95 -80.77 -55.85 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.997 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-10 -54.38 168.68 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.7 ttmt -94.68 120.85 64.26 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 132.99 16.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 3.1 pt-20 -46.01 105.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.08 -53.61 0.63 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 6.9 t80 -43.87 153.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -154.21 92.14 1.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.105 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.85 -57.92 0.96 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -178.87 156.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 tp -164.94 -71.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.28 132.2 50.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 158.65 19.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.4 m 40.46 88.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.413 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.08 142.39 32.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.57 96.97 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 89.24 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.6 t -159.88 -51.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t 60.79 101.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.03 123.11 2.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 0.773 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -50.47 146.03 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.05 177.0 28.31 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.07 85.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -132.61 -49.45 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.042 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.82 152.53 17.31 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.539 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -124.79 102.04 7.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.6 m95 -137.04 165.53 25.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 107.995 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.38 133.52 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -86.46 132.05 34.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.66 -136.13 3.22 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.579 1.175 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.1 mm -150.19 153.89 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 18' ' ' TYR . 39.2 p -103.39 -167.51 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -45.2 -58.59 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.484 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 145.15 43.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' THR . 11.2 m-85 -99.88 136.61 39.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 0.756 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.6 m170 -73.91 100.26 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 4.7 p90 -110.66 159.73 17.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -114.58 129.09 56.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 7.1 t80 -104.87 165.23 11.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -120.4 127.06 51.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.78 -28.49 18.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.539 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -36.74 -67.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.76 -37.96 2.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.01 53.86 0.11 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.47 171.24 8.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 0.777 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 p -147.63 140.86 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.027 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB2' ' A' ' 32' ' ' GLU . 6.4 tt0 -156.49 145.83 20.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -77.55 -61.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 107.996 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.429 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 10.2 mt-10 -47.13 162.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -86.09 132.78 42.56 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 155.74 42.79 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.488 1.783 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -56.85 139.03 52.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 38.4 52.71 2.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.9 -57.06 7.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 0.776 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 51.64 97.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -109.0 -68.85 0.63 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -160.59 110.47 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 0.734 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 tp -157.53 -61.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.43 171.2 15.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -138.92 150.87 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.411 1.07 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 64.2 159.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.45 107.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.69 167.17 19.94 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 150.51 38.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -130.77 96.4 4.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.05 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 t 60.24 163.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.51 -58.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.44 110.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.71 132.37 7.0 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.7 p -89.17 144.8 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.85 106.83 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 157.11 7.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.13 101.74 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.786 . . . . 0.0 110.291 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.602 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 13.9 m95 -137.32 163.69 30.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 m -145.4 129.71 12.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -85.7 128.27 34.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -137.68 -134.22 3.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.809 HD11 ' CD2' ' A' ' 19' ' ' HIS . 31.3 mm -150.43 158.34 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 HG23 ' CD1' ' A' ' 20' ' ' TYR . 1.4 p -110.81 -168.08 1.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 t -49.98 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -44.02 -59.38 2.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.496 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 141.6 43.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -101.4 139.03 37.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.77 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.809 ' CD2' HD11 ' A' ' 13' ' ' ILE . 6.6 m170 -75.14 99.53 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.611 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' CD1' HG23 ' A' ' 14' ' ' THR . 4.9 p90 -109.15 162.12 14.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -114.94 131.31 56.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.58 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 13.1 t80 -108.19 168.92 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.602 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.1 m-20 -126.06 126.36 44.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.52 -27.63 19.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.4 mp -37.53 -67.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.83 -37.95 2.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 129.07 54.23 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.94 172.57 7.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -151.14 144.08 24.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.8 tt0 -162.05 148.39 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 30' ' ' GLN . 36.6 m95 -79.07 -55.41 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 108.03 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 28.8 mt-10 -54.79 167.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -96.46 124.52 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.514 ' HG3' ' CE3' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.04 131.39 14.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 11.5 pt-20 -46.57 112.28 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.76 -49.29 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 12.8 t80 -41.4 -61.73 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 46.24 73.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.69 174.22 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -54.82 133.2 47.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.6 tp -157.81 142.11 16.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? 58.32 163.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.07 81.64 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 46' ' ' GLY . 11.9 m -90.51 -56.7 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.4 m 65.72 -74.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.975 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' THR . . . 77.84 157.76 9.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 -58.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.46 133.57 38.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.26 152.71 35.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 0.771 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 t -92.48 97.08 10.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.52 176.16 48.61 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -151.98 90.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.979 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 p -110.26 -33.02 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.18 155.0 35.78 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' H ' HD11 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -132.21 101.51 5.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 110.339 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CZ2' ' OD2' ' A' ' 23' ' ' ASP . 15.5 m95 -137.49 166.88 22.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.45 134.91 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -85.9 129.73 34.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.92 -134.18 3.09 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.49 1.118 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 19' ' ' HIS . 28.6 mm -150.22 155.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 18' ' ' TYR . 49.8 p -101.69 -167.6 1.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -54.53 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -49.66 -57.7 6.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.506 ' HA2' ' CG2' ' A' ' 13' ' ' ILE . . . 144.78 44.13 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.595 ' O ' HG23 ' A' ' 14' ' ' THR . 69.5 m-85 -102.43 135.88 43.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.784 ' CD2' HD11 ' A' ' 13' ' ' ILE . 5.4 m170 -73.12 101.89 3.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.63 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' HB3' ' CG2' ' A' ' 14' ' ' THR . 5.6 p90 -111.6 170.5 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.436 ' CE1' ' CE2' ' A' ' 37' ' ' PHE . 20.9 m-85 -120.67 128.96 53.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.577 ' CZ ' ' O ' ' A' ' 23' ' ' ASP . 12.9 t80 -104.01 169.16 8.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.583 ' OD2' ' CZ2' ' A' ' 9' ' ' TRP . 1.2 m-20 -126.58 126.31 43.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -90.5 -27.89 18.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD11 ' H ' ' A' ' 8' ' ' ARG . 3.3 mp -37.47 -67.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.96 -38.21 2.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 23' ' ' ASP . . . 128.88 54.58 0.11 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.533 1.145 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.73 173.0 6.72 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -150.16 143.65 25.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 31' ' ' TRP . 9.2 tt0 -159.81 149.68 18.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.54 ' HZ3' HG21 ' A' ' 14' ' ' THR . 49.3 m95 -81.94 -58.08 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HB2' ' NE2' ' A' ' 30' ' ' GLN . 31.8 mt-10 -51.27 163.95 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -92.49 124.18 59.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HG3' ' CD2' ' A' ' 9' ' ' TRP . 18.3 Cg_endo -75.03 134.17 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 102.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.38 -38.38 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 9' ' ' TRP . 5.9 t80 -48.33 167.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 0.732 . . . . 0.0 110.975 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.42 94.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -103.42 118.81 6.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -140.88 163.86 31.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -116.8 142.59 46.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.17 87.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.75 126.93 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 32.6 p -86.53 110.88 20.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 p -89.91 173.24 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.44 -84.65 1.4 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.44 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t 51.51 82.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.5 p 57.14 169.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.125 . . . . 0.0 110.969 -179.975 . . . . . . . . 0 0 . 1 stop_ save_